Geometry & MOs

Info

ID:	128476
PubChem CID:	51045868
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	329.04153
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	4.13
IP(EA), eV:	-8.65(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-bromoanilino)-1-(3,4-dimethylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N/C=C/C(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations