Geometry & MOs

Info

ID:	1434
PubChem CID:	4422
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	3.65
IP(EA), eV:	-8.44(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol

Drug info:

PubChemData

Smile

C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O

DOS

IR

Vibrations