Geometry & MOs

Info

ID:	325447
PubChem CID:	126683320
Reduced:	NC23H23 (1)
Stoich.:	AB23C23 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	56.22
Dipole, Da:	3.28
IP(EA), eV:	-9.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7aR)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC2=CC=C(C=C2)C3=CC(=NC=C3)C4=CC=CC=C4

DOS

IR

Vibrations