Geometry & MOs

Info

ID:	27781
PubChem CID:	823519
Reduced:	ClN3O3H8C14 (1)
Stoich.:	AB3C3D8E14 (1)
Weight, g/mol:	277.121512
ΔH_f, kcal/mol:	20.73
Dipole, Da:	5.46
IP(EA), eV:	-9.71(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1H-benzimidazol-2-yl)phenyl]but-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations