Geometry & MOs

Info

ID:	361192
PubChem CID:	127302136
Reduced:	BrO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-15.21
Dipole, Da:	5.26
IP(EA), eV:	-9.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)C3=NNC4=C3C=C(C=C4)Br

DOS

IR

Vibrations