Geometry & MOs

Info

ID:	132752
PubChem CID:	51412616
Reduced:	BrON2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	33.92
Dipole, Da:	5.03
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-hydroxy-1-(4-methylphenyl)-4-phenylbutan-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C(/C)\C=N/NC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations