Geometry & MOs

Info

ID:	335255
PubChem CID:	127254116
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-174.52
Dipole, Da:	4.22
IP(EA), eV:	-8.32(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCC2(CCCCC2[C@@H]1C3=C(C=C(C=C3)OC)OC)O

DOS

IR

Vibrations