Geometry & MOs

Info

ID:	73113
PubChem CID:	48417017
Reduced:	O3N5H13C16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	308.102174
ΔH_f, kcal/mol:	-25.59
Dipole, Da:	6.83
IP(EA), eV:	-9.34(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations