Geometry & MOs

Info

ID:	271027
PubChem CID:	103640595
Reduced:	ON3C5H6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	66.32
Dipole, Da:	5.82
IP(EA), eV:	-9.95(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxyphenyl)ethyl]-3-nitropyridin-4-amine

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC2=C(C=NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations