Geometry & MOs

Info

ID:	335250
PubChem CID:	127254111
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-166.93
Dipole, Da:	2.36
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)CN1CCC2(CCCCC2[C@@H]1C3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations