Geometry & MOs

Info

ID:	335298
PubChem CID:	127254159
Reduced:	N3O5C30H37 (1)
Stoich.:	A3B5C30D37 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-169.48
Dipole, Da:	4.01
IP(EA), eV:	-8.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2CC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC)O

DOS

IR

Vibrations