Geometry & MOs

Info

ID:	26819
PubChem CID:	798804
Reduced:	ClN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	329.04153
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	5.95
IP(EA), eV:	-8.34(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-bromoanilino)-1-(4-methylphenyl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl

DOS

IR

Vibrations