Geometry & MOs

Info

ID:	291672
PubChem CID:	113458852
Reduced:	ClO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	270.07712
ΔH_f, kcal/mol:	42.39
Dipole, Da:	6.87
IP(EA), eV:	-9.28(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-nitro-N-(oxan-3-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])NCC2=CC=NC=C2

DOS

IR

Vibrations