Geometry & MOs

Info

ID:	335370
PubChem CID:	127254232
Reduced:	NO5C26H33 (1)
Stoich.:	AB5C26D33 (1)
Weight, g/mol:	511.293388
ΔH_f, kcal/mol:	-187.21
Dipole, Da:	5.3
IP(EA), eV:	-8.88(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)C4=C(C=C(C=C4)OC)OC)O

DOS

IR

Vibrations