Geometry & MOs

Info

ID:	362400
PubChem CID:	127307745
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	2.78
Dipole, Da:	4.83
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations