Geometry & MOs

Info

ID:	335320
PubChem CID:	127254182
Reduced:	NOC14H19 (2)
Stoich.:	ABC14D19 (2)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-87.61
Dipole, Da:	4.38
IP(EA), eV:	-7.98(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations