Geometry & MOs

Info

ID:	128477
PubChem CID:	51045914
Reduced:	BrNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	10.23
Dipole, Da:	4.93
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethylanilino)-1-(2,5-dimethylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)/C=C/NC2=CC(=CC=C2)Br)C

DOS

IR

Vibrations