Geometry & MOs

Info

ID:	242649
PubChem CID:	97857739
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-136.3
Dipole, Da:	5.99
IP(EA), eV:	-8.61(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1S)-1-hydroxyethyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCCC[C@H]2[C@@H](C)O)OC

DOS

IR

Vibrations