Geometry & MOs

Info

ID:	2178
PubChem CID:	6122
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	3.24
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,4aR,7S,7aR,12bS)-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=CCN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O

DOS

IR

Vibrations