Geometry & MOs

Info

ID:	335322
PubChem CID:	127254184
Reduced:	NOC14H18 (2)
Stoich.:	ABC14D18 (2)
Weight, g/mol:	395.209658
ΔH_f, kcal/mol:	-59.99
Dipole, Da:	2.38
IP(EA), eV:	-7.87(-0.45)
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]-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations