Geometry & MOs

Info

ID:	130333
PubChem CID:	51075630
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	27.2
Dipole, Da:	3.41
IP(EA), eV:	-9.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(3-imidazol-1-ylpropyl)-2-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2=CN3C=CSC3=N2)CC4=CC=CC=C4

DOS

IR

Vibrations