Geometry & MOs

Info

ID:	202582
PubChem CID:	79690674
Reduced:	BrNSC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	284.157643
ΔH_f, kcal/mol:	46.28
Dipole, Da:	2.87
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-5-methylphenyl)-4-phenylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations