Geometry & MOs

Info

ID:	343597
PubChem CID:	127266773
Reduced:	N2O2C7H8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	305.112404
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	2.07
IP(EA), eV:	-9.97(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[1-(1-methylimidazol-2-yl)ethylamino]-5-nitropyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(N=C1)NC2CCCCC2C#N)[N+](=O)[O-]

DOS

IR

Vibrations