Geometry & MOs

Info

ID:	1370
PubChem CID:	4253
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-78.09
Dipole, Da:	4.55
IP(EA), eV:	-8.55(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O

DOS

IR

Vibrations