Geometry & MOs

Info

ID:	144717
PubChem CID:	53402807
Reduced:	ClNOC9H10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	237.016826
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	5.67
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-2-chloro-3-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Cl)C(=O)C)N

DOS

IR

Vibrations