Geometry & MOs

Info

ID:	335379
PubChem CID:	127254241
Reduced:	NO2C25H31 (1)
Stoich.:	AB2C25D31 (1)
Weight, g/mol:	365.235479
ΔH_f, kcal/mol:	-41.03
Dipole, Da:	2.53
IP(EA), eV:	-8.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations