Geometry & MOs

Info

ID:	372278
PubChem CID:	131295437
Reduced:	ClFNOH7C8 (1)
Stoich.:	ABCDE7F8 (1)
Weight, g/mol:	194.061076
ΔH_f, kcal/mol:	-72.08
Dipole, Da:	2.23
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-6-chloro-3-ethylphenyl)acetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations