Geometry & MOs

Info

ID:	339772
PubChem CID:	127261781
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	408.168522
ΔH_f, kcal/mol:	-167.66
Dipole, Da:	4.01
IP(EA), eV:	-9.45(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinoline;2-[3-(1-methylpiperidin-3-yl)oxyphenoxy]-2-oxoacetic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)O/C(=C\C(=O)OC2=CC=CC=C2)/C(=O)O

DOS

IR

Vibrations