Geometry & MOs

Info

ID:	336911
PubChem CID:	127255918
Reduced:	ClN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	180.089878
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	6.68
IP(EA), eV:	-9.18(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-2-propan-2-ylaniline

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC=C1[N+](=O)[O-])N.Cl

DOS

IR

Vibrations