Geometry & MOs

Info

ID:	315937
PubChem CID:	126629466
Reduced:	PO4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-191.89
Dipole, Da:	4.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761667
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxycyclohexyl)-[2-methyl-5-(2-methylpropoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)OCO[P+](=O)O

DOS

IR

Vibrations