Geometry & MOs

Info

ID:	205706
PubChem CID:	80137328
Reduced:	O2N5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	56.94
Dipole, Da:	5.86
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(3-methylpyridin-4-yl)-5-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=C(C=C1)[N+](=O)[O-])C2=CN(N=C2)C

DOS

IR

Vibrations