Geometry & MOs

Info

ID:	444271
PubChem CID:	135261929
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	339.121906
ΔH_f, kcal/mol:	-216.74
Dipole, Da:	2.75
IP(EA), eV:	-9.29(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2,4-dioxopyrimidin-1-yl)isoquinolin-7-yl]oxypentanal

Drug info:

PubChemData

Smile

CCN(C1CCC(=O)NC1=O)C(=O)C2=CC=C(C=C2)OCCCCCO

DOS

IR

Vibrations