Geometry & MOs

Info

ID:	291671
PubChem CID:	113458793
Reduced:	ClN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	263.046154
ΔH_f, kcal/mol:	1.16
Dipole, Da:	5.18
IP(EA), eV:	-9.85(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-nitro-N-(pyridin-4-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCOC2=C(C(=CC=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations