Geometry & MOs

Info

ID:	205834
PubChem CID:	80163509
Reduced:	O3N4C12H14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	0.51
Dipole, Da:	7.3
IP(EA), eV:	-9.24(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-N-(6-nitro-1H-benzimidazol-2-yl)butane-1,2-diamine

Drug info:

PubChemData

Smile

C1C(CC1O)CNC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations