Geometry & MOs

Info

ID:	401959
PubChem CID:	135053578
Reduced:	ClON4H17C22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	316.14633
ΔH_f, kcal/mol:	72.47
Dipole, Da:	3.17
IP(EA), eV:	-9.38(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenyl-1-(4-phenylmethoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1CC2C([C@]3([C@@H](N2C1)C4=CC=C(C=C4)Cl)C5=CC=CC=C5NC3=O)(C#N)C#N

DOS

IR

Vibrations