Geometry & MOs

Info

ID:	361194
PubChem CID:	127302138
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	5.86
IP(EA), eV:	-9.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations