Geometry & MOs

Info

ID:	404236
PubChem CID:	135065512
Reduced:	PO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	434.212315
ΔH_f, kcal/mol:	-174.97
Dipole, Da:	3.9
IP(EA), eV:	-9.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]indole-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCC(=O)CP(=O)(C1=CC=CC=C1)OCC

DOS

IR

Vibrations