Geometry & MOs

Info

ID:	335375
PubChem CID:	127254237
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	360.241293
ΔH_f, kcal/mol:	-182.42
Dipole, Da:	4.84
IP(EA), eV:	-8.78(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R)-1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations