Geometry & MOs

Info

ID:	357149
PubChem CID:	127293375
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-65.24
Dipole, Da:	1.9
IP(EA), eV:	-9.37(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(4-oxocinnolin-1-yl)-N-(oxolan-3-yl)propanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N(C)C3CCOC3

DOS

IR

Vibrations