Geometry & MOs

Info

ID:	129521
PubChem CID:	51072940
Reduced:	NSO4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	5.49
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-methoxyphenoxy)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations