Geometry & MOs

Info

ID:	335378
PubChem CID:	127254240
Reduced:	NO4C26H33 (1)
Stoich.:	AB4C26D33 (1)
Weight, g/mol:	377.235479
ΔH_f, kcal/mol:	-148.33
Dipole, Da:	2.6
IP(EA), eV:	-8.69(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)CCC4=CC=CC=C4)O)OC

DOS

IR

Vibrations