Geometry & MOs

Info

ID:	335329
PubChem CID:	127254191
Reduced:	NO5C28H35 (1)
Stoich.:	AB5C28D35 (1)
Weight, g/mol:	522.309372
ΔH_f, kcal/mol:	-171.25
Dipole, Da:	1.84
IP(EA), eV:	-8.37(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations