Geometry & MOs

Info

ID:	386082
PubChem CID:	134980722
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	370.19328
ΔH_f, kcal/mol:	-108.53
Dipole, Da:	5.39
IP(EA), eV:	-9.68(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-1-phenyl-3-(2-phenylethyl)-2-phenylmethoxypent-4-en-1-one

Drug info:

PubChemData

Smile

CCC1=C[C@H]([C@H]2[C@@H](C1)[C@@H](OC2=O)C)C

DOS

IR

Vibrations