Geometry & MOs

Info

ID:	73125
PubChem CID:	48417044
Reduced:	ON7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	246.057532
ΔH_f, kcal/mol:	76.86
Dipole, Da:	3.42
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5-ethylthiophene-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C(=NC2=C1)C)CCC(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations