Geometry & MOs

Info

ID:	335346
PubChem CID:	127254208
Reduced:	NO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	377.235479
ΔH_f, kcal/mol:	-148.88
Dipole, Da:	5.37
IP(EA), eV:	-8.92(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4OC)O

DOS

IR

Vibrations