Geometry & MOs

Info

ID:	179764
PubChem CID:	76527653
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	462.147698
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	2.3
IP(EA), eV:	-9.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2-hydroxyphenyl)methylamino]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(=O)NN(C2=O)CC3=CC=CC=C3)CO

DOS

IR

Vibrations