Geometry & MOs

Info

ID:	391494
PubChem CID:	135005805
Reduced:	OC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-112.12
Dipole, Da:	0.96
IP(EA), eV:	-8.84(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3R)-3-cyclohexyl-4-oxo-1-phenylbutyl] nitrate

Drug info:

PubChemData

Smile

CC(=CCCC(=C1CCC2(CC1)OCCO2)C)C

DOS

IR

Vibrations