Geometry & MOs

Info

ID:	55535
PubChem CID:	17395513
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	6.13
IP(EA), eV:	-8.54(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=NC=C(S3)C

DOS

IR

Vibrations