Geometry & MOs

Info

ID:	73291
PubChem CID:	48417377
Reduced:	ClO2N5H16C17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	263.08071
ΔH_f, kcal/mol:	1.84
Dipole, Da:	5.36
IP(EA), eV:	-9.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(quinoline-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations