Geometry & MOs

Info

ID:	73150
PubChem CID:	48417092
Reduced:	ON8C14H14 (1)
Stoich.:	AB8C14D14 (1)
Weight, g/mol:	300.041403
ΔH_f, kcal/mol:	101.53
Dipole, Da:	5.78
IP(EA), eV:	-9.65(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations