Geometry & MOs

Info

ID:	361210
PubChem CID:	127302165
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-84.96
Dipole, Da:	7.41
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations