Geometry & MOs

Info

ID:	361176
PubChem CID:	127302120
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	-38.01
Dipole, Da:	6.01
IP(EA), eV:	-8.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations