Geometry & MOs

Info

ID:	336910
PubChem CID:	127255917
Reduced:	NCl2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	216.066555
ΔH_f, kcal/mol:	-71.04
Dipole, Da:	4.52
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-2-propan-2-ylaniline;hydrochloride

Drug info:

PubChemData

Smile

CN(C)/C=C(\C1=C(C=C(C=C1)Cl)Cl)/C(=O)OC

DOS

IR

Vibrations