Geometry & MOs

Info

ID:	147756
PubChem CID:	53787414
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	460.224974
ΔH_f, kcal/mol:	-60.49
Dipole, Da:	1.58
IP(EA), eV:	-8.5(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-hex-5-enoxybenzoyl)oxy-8-(2-methylbutyl)naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)N2CCOCC2)CC3=CC=CC=C3N

DOS

IR

Vibrations