Geometry & MOs

Info

ID:	335350
PubChem CID:	127254212
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	527.288303
ΔH_f, kcal/mol:	-104.51
Dipole, Da:	5.91
IP(EA), eV:	-8.83(0.14)
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]-(3,4,5-triethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2CC(=O)NCC4=CC=CC=C4)O

DOS

IR

Vibrations