Geometry & MOs

Info

ID:	209741
PubChem CID:	80711395
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	24.49
Dipole, Da:	7.59
IP(EA), eV:	-9.66(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)aniline

Drug info:

PubChemData

Smile

CCC(C)CC(C)NC1=NC=CC(=C1[N+](=O)[O-])C#N

DOS

IR

Vibrations