Geometry & MOs

Info

ID:	335229
PubChem CID:	127254090
Reduced:	NO3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	3.98
IP(EA), eV:	-8.4(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations