Geometry & MOs

Info

ID:	73144
PubChem CID:	48417077
Reduced:	ClO3N4H7C12 (1)
Stoich.:	AB3C4D7E12 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	-3.63
Dipole, Da:	5.29
IP(EA), eV:	-9.44(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2,4-dimethoxyphenyl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N)Cl

DOS

IR

Vibrations