Geometry & MOs

Info

ID:	290762
PubChem CID:	110376844
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	235.05124
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	8.31
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(1-methylimidazol-2-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations