Geometry & MOs

Info

ID:	141391
PubChem CID:	52872449
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	401.11028
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	1.82
IP(EA), eV:	-8.53(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCN1CCC[C@@H](C1)CNC(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations