Geometry & MOs

Info

ID:	335364
PubChem CID:	127254226
Reduced:	N2O3C22H34 (1)
Stoich.:	A2B3C22D34 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-148.23
Dipole, Da:	2.97
IP(EA), eV:	-8.77(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations