Geometry & MOs

Info

ID:	361208
PubChem CID:	127302163
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-33.31
Dipole, Da:	5.34
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=NN(C2=CC=CC=C2C1=O)C)CN3CCCC3

DOS

IR

Vibrations