Geometry & MOs

Info

ID:	361233
PubChem CID:	127302397
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	7.69
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)CN1CCCN(CC1)C(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations