Geometry & MOs

Info

ID:	335326
PubChem CID:	127254188
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	497.277738
ΔH_f, kcal/mol:	-129.98
Dipole, Da:	2.6
IP(EA), eV:	-8.99(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC2(CCCCC2[C@@H]1C3=CC=CC=C3OC)O

DOS

IR

Vibrations