Geometry & MOs

Info

ID:	73275
PubChem CID:	48417345
Reduced:	ON4H10C15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	304.096026
ΔH_f, kcal/mol:	81.84
Dipole, Da:	5.74
IP(EA), eV:	-9.33(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-phenoxybenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations