Geometry & MOs

Info

ID:	379932
PubChem CID:	134964354
Reduced:	NC17H17 (1)
Stoich.:	AB17C17 (1)
Weight, g/mol:	266.167065
ΔH_f, kcal/mol:	33.4
Dipole, Da:	2.31
IP(EA), eV:	-8.11(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6S)-4,6-diphenylheptan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(NC3=CC=CC(=C32)C)C

DOS

IR

Vibrations