Geometry & MOs

Info

ID:	218945
PubChem CID:	85090224
Reduced:	N4O6C29H34 (1)
Stoich.:	A4B6C29D34 (1)
Weight, g/mol:	534.289897
ΔH_f, kcal/mol:	-108.21
Dipole, Da:	8.75
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[diphenylphosphoryl(methoxy)methyl]-2,2-dimethyl-6-(phenylmethoxymethyl)-5-propan-2-ylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC=C(C=C2)C3=CC=CC=C3)N4C=C(N=C4)[N+](=O)[O-]

DOS

IR

Vibrations