Geometry & MOs

Info

ID:	73274
PubChem CID:	48417342
Reduced:	ClON6H13C16 (1)
Stoich.:	ABC6D13E16 (1)
Weight, g/mol:	262.085461
ΔH_f, kcal/mol:	88.75
Dipole, Da:	5.36
IP(EA), eV:	-9.22(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N)C)Cl

DOS

IR

Vibrations