Geometry & MOs

Info

ID:	335319
PubChem CID:	127254181
Reduced:	NO5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	434.293328
ΔH_f, kcal/mol:	-172.22
Dipole, Da:	6.06
IP(EA), eV:	-8.88(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4)O

DOS

IR

Vibrations