Geometry & MOs

Info

ID:	5689
PubChem CID:	13493
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	2.64
Dipole, Da:	11.55
IP(EA), eV:	-8.99(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]-N,N-diethylethanamine

Drug info:

PubChemData

Smile

CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC

DOS

IR

Vibrations