Geometry & MOs

Info

ID:	234021
PubChem CID:	92297550
Reduced:	O3C24H26 (1)
Stoich.:	A3B24C26 (1)
Weight, g/mol:	410.22458
ΔH_f, kcal/mol:	-59.68
Dipole, Da:	4.91
IP(EA), eV:	-8.76(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[(1S,2R,3S,4R,6S)-4-hydroxy-3-methyl-2,6-diphenylcyclohexyl]-2-methyl-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CC(=O)C(=C1/C=C\C2=CC=CC=C2OC)C)C3=CC=CC=C3OC

DOS

IR

Vibrations