Geometry & MOs

Info

ID:	73398
PubChem CID:	48417613
Reduced:	OCl2N5H7C10 (1)
Stoich.:	AB2C5D7E10 (1)
Weight, g/mol:	287.065454
ΔH_f, kcal/mol:	53.15
Dipole, Da:	5.92
IP(EA), eV:	-9.39(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(3-nitrophenoxy)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=CC(=C1Cl)Cl)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations