Geometry & MOs

Info

ID:	343508
PubChem CID:	127266681
Reduced:	ClO2N5C13H14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-24.24
Dipole, Da:	2.7
IP(EA), eV:	-9.73(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-benzimidazol-2-yl)ethyl]-N,4-dimethyl-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCC2=NC(=NC=C2)Cl

DOS

IR

Vibrations