Geometry & MOs

Info

ID:	20447
PubChem CID:	584012
Reduced:	BrNOC25H26 (1)
Stoich.:	ABCD25E26 (1)
Weight, g/mol:	435.11978
ΔH_f, kcal/mol:	6.32
Dipole, Da:	5.25
IP(EA), eV:	-8.32(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-3-(3,4-dimethylanilino)-1-(4-ethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Br)NC3=CC(=C(C=C3)C)C

DOS

IR

Vibrations