Geometry & MOs

Info

ID:	335318
PubChem CID:	127254180
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	425.220223
ΔH_f, kcal/mol:	-134.42
Dipole, Da:	4.06
IP(EA), eV:	-8.43(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)[C@H]2C3CCCCC3(CCN2)O)O

DOS

IR

Vibrations