Geometry & MOs

Info

ID:	73214
PubChem CID:	48417211
Reduced:	O3N5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	247.026087
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	8.73
IP(EA), eV:	-9.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1C(=C(C=N1)C#N)N)NC(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations