Geometry & MOs

Info

ID:	403193
PubChem CID:	135059128
Reduced:	IOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	375.211587
ΔH_f, kcal/mol:	-94.02
Dipole, Da:	1.69
IP(EA), eV:	-9.55(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R)-3-cyclohexyl-2-phenyl-1,3,3a,4,5,6-hexahydroisophosphindol-1-yl]pyridine

Drug info:

PubChemData

Smile

CCCCCCC1[C@H](C[C@H](O[C@H]1C(C)C)C)I

DOS

IR

Vibrations