Geometry & MOs

Info

ID:

309195

PubChem CID:

126539942

Reduced:

O6N7C42H65 (1)

Stoich.:

A6B7C42D65 (1)

Weight, g/mol:

461.470899

ΔHf, kcal/mol:

-201.51

Dipole, Da:

11.98

IP(EA), eV:

 -7.65(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-1-[3-methyl-3-[1-[4-methyl-4-(1-propylpyrrolidin-2-yl)pentan-2-yl]pyrrolidin-2-yl]butyl]pyrrolidine

Drug info:

PubChemData

Smile

CC[C@H](C)C([C@H]1CC(=C(O1)N=O)N2CCC[C@H]2[C@@H]([C@@H](C)C(=O)NCCC3=CC=CC4=C3N=CC=C4)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C

DOS

IR

Vibrations