Geometry & MOs

Info

ID:	335316
PubChem CID:	127254178
Reduced:	N2O4C27H44 (1)
Stoich.:	A2B4C27D44 (1)
Weight, g/mol:	327.160121
ΔH_f, kcal/mol:	-202.6
Dipole, Da:	3.16
IP(EA), eV:	-8.38(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-ethoxy-4-hydroxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)CN1CCC2(CCCCC2[C@@H]1C3=C(C=C(C=C3)OC)OC)O

DOS

IR

Vibrations