Geometry & MOs

Info

ID:	73296
PubChem CID:	48417390
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	286.10659
ΔH_f, kcal/mol:	-38.48
Dipole, Da:	4.69
IP(EA), eV:	-9.49(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-ethoxy-4-methoxybenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations