Geometry & MOs

Info

ID:	335321
PubChem CID:	127254183
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	432.277678
ΔH_f, kcal/mol:	-127.31
Dipole, Da:	6.55
IP(EA), eV:	-8.96(-0.01)
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-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)C4=CC=CO4)O

DOS

IR

Vibrations