Geometry & MOs

Info

ID:	373299
PubChem CID:	131312908
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	287.97596
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	1.45
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-5-iodo-2-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)Cl)N)C(=O)C

DOS

IR

Vibrations