Geometry & MOs

Info

ID:	404188
PubChem CID:	135065373
Reduced:	PO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	238.135765
ΔH_f, kcal/mol:	-175.84
Dipole, Da:	4.08
IP(EA), eV:	-9.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2E)-2-(naphthalen-1-ylmethylidene)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(CC(=O)OC)OP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations