Geometry & MOs

Info

ID:	371809
PubChem CID:	131271853
Reduced:	BrClINO3H4C8 (1)
Stoich.:	ABCDE3F4G8 (1)
Weight, g/mol:	190.110613
ΔH_f, kcal/mol:	2.85
Dipole, Da:	3.27
IP(EA), eV:	-10.3(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-amino-4-methoxyphenyl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Br)I)[N+](=O)[O-])C(=O)CCl

DOS

IR

Vibrations