Geometry & MOs

Info

ID:	338648
PubChem CID:	127259659
Reduced:	ClNOH20C23 (1)
Stoich.:	ABCD20E23 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	29.21
Dipole, Da:	4.16
IP(EA), eV:	-9.3(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-cyano-1H-imidazol-4-yl)-propylcarbamoyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\CCNC(=O)C2=CC=CC=C2)/C3=CC=CC=C3Cl

DOS

IR

Vibrations