Geometry & MOs

Info

ID:	73292
PubChem CID:	48417379
Reduced:	ON5H9C14 (1)
Stoich.:	AB5C9D14 (1)
Weight, g/mol:	304.096026
ΔH_f, kcal/mol:	96.32
Dipole, Da:	5.66
IP(EA), eV:	-9.42(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations