Geometry & MOs

Info

ID:	442667
PubChem CID:	135254683
Reduced:	ClNOF2H22C26 (1)
Stoich.:	ABCD2E22F26 (1)
Weight, g/mol:	419.08848
ΔH_f, kcal/mol:	-32.56
Dipole, Da:	2.95
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[[benzyl(methyl)amino]methyl]-3-(4-bromophenyl)-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)CC(=C)C(=O)/C(=C\C2=CC=C(C=C2)Cl)/C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations