Geometry & MOs

Info

ID:	340693
PubChem CID:	127262704
Reduced:	NPC25H41 (1)
Stoich.:	ABC25D41 (1)
Weight, g/mol:	432.198495
ΔH_f, kcal/mol:	-30.13
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.806667
Charge, e:	0

Chem-info

IUPAC name:

2-(2-dicyclohexylphosphanylphenyl)-3-methoxyphenol;hydrochloride

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)[P+](C2CCCCC2)(C3CCCCC3)C4CCCCC4

DOS

IR

Vibrations