Geometry & MOs

Info

ID:	25471
PubChem CID:	625407
Reduced:	IN2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	304.203845
ΔH_f, kcal/mol:	61.56
Dipole, Da:	1.69
IP(EA), eV:	-9.02(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-10a,12a-dimethyl-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]isochromen-3-one

Drug info:

PubChemData

Smile

C1CN2CCN1C3=C2C(=CC=C3)I

DOS

IR

Vibrations