Geometry & MOs

Info

ID:	335264
PubChem CID:	127254125
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-133.61
Dipole, Da:	4.62
IP(EA), eV:	-8.94(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations