Geometry & MOs

Info

ID:	369670
PubChem CID:	127335000
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-132.65
Dipole, Da:	7.3
IP(EA), eV:	-8.29(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(1-propoxyisoquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1C3CCCCC3)C=CC(=C2)OC)C(=O)N4C5CCC4CC(C5)O

DOS

IR

Vibrations