Geometry & MOs

Info

ID:	365794
PubChem CID:	127318519
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-8.51
Dipole, Da:	4.64
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[3-(2-methylpropyl)morpholine-4-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NC3=NN(C=C3)C4=CC=NC=C4

DOS

IR

Vibrations