Geometry & MOs

Info

ID:	73039
PubChem CID:	48416863
Reduced:	SO2N5C11H11 (1)
Stoich.:	AB2C5D11E11 (1)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	-2.57
Dipole, Da:	5.43
IP(EA), eV:	-9.07(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations