Geometry & MOs

Info

ID:	233527
PubChem CID:	91145291
Reduced:	SN3O5C21H33 (1)
Stoich.:	AB3C5D21E33 (1)
Weight, g/mol:	338.176106
ΔH_f, kcal/mol:	-184.88
Dipole, Da:	8.38
IP(EA), eV:	-8.52(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)methyl 1-hexylpiperazine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(CSC)C(=O)NO)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)OC)C(=O)N

DOS

IR

Vibrations