Geometry & MOs

Info

ID:	190854
PubChem CID:	78069489
Reduced:	NO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	419.243364
ΔH_f, kcal/mol:	-109.7
Dipole, Da:	4.35
IP(EA), eV:	-10.13(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[5-(5-carboxy-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoxy]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)OC

DOS

IR

Vibrations