Geometry & MOs

Info

ID:	369106
PubChem CID:	127331266
Reduced:	ON6C22H32 (1)
Stoich.:	AB6C22D32 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	16.58
Dipole, Da:	3.64
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCCN(CC2)C(=O)NCC3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations