Geometry & MOs

Info

ID:

148708

PubChem CID:

53788377

Reduced:

PN4O24C46H55 (1)

Stoich.:

AB4C24D46E55 (1)

Weight, g/mol:

446.221045

ΔHf, kcal/mol:

-1072.65

Dipole, Da:

12.33

IP(EA), eV:

 -9.35(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methyl-N-phenyl-4-propylpiperazin-4-ium-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)C[C@]3([C@H]([C@@H]([C@H](OC3OC(=O)C4=CC=CC=C4OP(=O)(O)OC5=CC=CC=C5C(=O)OC6[C@]([C@H]([C@@H]([C@H](O6)CO)O)O)(C[C@@H]7CC[C@@H](O7)N8C=C(C(=O)NC8=O)C)O)CO)O)O)O

DOS

IR

Vibrations