Geometry & MOs

Info

ID:	385968
PubChem CID:	134980425
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	336.20893
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	1.77
IP(EA), eV:	-9.37(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-ethenyl-6-methyl-1-phenyl-2-phenylmethoxyheptan-1-one

Drug info:

PubChemData

Smile

C[C@H]1CC=C[C@@H]([C@]1(C)C=O)CCOCC2=CC=CC=C2

DOS

IR

Vibrations