Geometry & MOs

Info

ID:	3727
PubChem CID:	10076
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-59.81
Dipole, Da:	3.15
IP(EA), eV:	-8.63(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

Drug info:

PubChemData

Smile

C1CN[C@H]2CC3=C4[C@@]15C2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O

DOS

IR

Vibrations