Geometry & MOs

Info

ID:	361258
PubChem CID:	127302422
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	7.07
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethylmorpholine-4-carbonyl)-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CCC1CCC(CC1)N(C2CC2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations