Geometry & MOs

Info

ID:	370675
PubChem CID:	127339837
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-43.51
Dipole, Da:	3.69
IP(EA), eV:	-8.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CN3C(=O)CCC4=CC=CC=C43

DOS

IR

Vibrations