Geometry & MOs

Info

ID:	335363
PubChem CID:	127254225
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	374.256943
ΔH_f, kcal/mol:	-93.58
Dipole, Da:	1.93
IP(EA), eV:	-8.57(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCC3(CCCCC3[C@@H]2C4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations