Geometry & MOs

Info

ID:	369959
PubChem CID:	127336950
Reduced:	N5O5C16H23 (1)
Stoich.:	A5B5C16D23 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-192.62
Dipole, Da:	3.05
IP(EA), eV:	-9.34(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-2-(oxan-4-yl)ethyl]-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCC(C3CCOCC3)O

DOS

IR

Vibrations