Geometry & MOs

Info

ID:	392888
PubChem CID:	135018317
Reduced:	NOC27H29 (1)
Stoich.:	ABC27D29 (1)
Weight, g/mol:	385.240565
ΔH_f, kcal/mol:	23.23
Dipole, Da:	2.16
IP(EA), eV:	-9.3(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-5-methyl-1-[2-(6-phenylpyridin-2-yl)phenyl]-2-propan-2-ylcyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1)C(C2(C3=CC=CC=C3C4=CC=CC(=N4)C5=CC=CC=C5)O)(C)C

DOS

IR

Vibrations