Geometry & MOs

Info

ID:	1435
PubChem CID:	4423
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-59.58
Dipole, Da:	3.05
IP(EA), eV:	-8.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

Drug info:

PubChemData

Smile

C=CCN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O

DOS

IR

Vibrations