Geometry & MOs

Info

ID:	73077
PubChem CID:	48416950
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	278.091609
ΔH_f, kcal/mol:	16.73
Dipole, Da:	5.88
IP(EA), eV:	-9.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N)OC

DOS

IR

Vibrations