Geometry & MOs

Info

ID:	73258
PubChem CID:	48417291
Reduced:	OSN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	284.09094
ΔH_f, kcal/mol:	44.2
Dipole, Da:	6.57
IP(EA), eV:	-9.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)N2C(=C(C=N2)C#N)N)C

DOS

IR

Vibrations