Geometry & MOs

Info

ID:	131195
PubChem CID:	51173195
Reduced:	N3O3H9C16 (1)
Stoich.:	A3B3C9D16 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	74.69
Dipole, Da:	9.2
IP(EA), eV:	-9.7(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyanophenoxy)methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)OC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations