Geometry & MOs

Info

ID:	268672
PubChem CID:	103600408
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-17.89
Dipole, Da:	8.04
IP(EA), eV:	-8.81(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)ethyl]-6-nitropyridin-3-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations