Geometry & MOs

Info

ID:	335269
PubChem CID:	127254130
Reduced:	NO2C26H33 (1)
Stoich.:	AB2C26D33 (1)
Weight, g/mol:	510.288243
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	3.39
IP(EA), eV:	-8.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(9H-xanthen-9-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations