Geometry & MOs

Info

ID:	361212
PubChem CID:	127302167
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-39.32
Dipole, Da:	6.02
IP(EA), eV:	-8.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCN(CC3)CC4CCCCC4

DOS

IR

Vibrations