Geometry & MOs

Info

ID:	217843
PubChem CID:	85088481
Reduced:	N3O6C20H27 (1)
Stoich.:	A3B6C20D27 (1)
Weight, g/mol:	405.194008
ΔH_f, kcal/mol:	-182.5
Dipole, Da:	7.73
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-3-(2-phenylethyl)-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol

Drug info:

PubChemData

Smile

CCCCCC(CN(C=O)O)C(=O)NCNC(=O)C1=CC2=C(O1)C(=CC=C2)OC

DOS

IR

Vibrations