Geometry & MOs

Info

ID:	277866
PubChem CID:	103831382
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	328.110919
ΔH_f, kcal/mol:	-76.62
Dipole, Da:	4.08
IP(EA), eV:	-8.97(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=C(C=C(C=C1)C(C)C)C(C)C)N

DOS

IR

Vibrations