Geometry & MOs

Info

ID:	70836
PubChem CID:	48413933
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-34.95
Dipole, Da:	7.95
IP(EA), eV:	-9.17(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCNC(=O)C2=CSC=C2

DOS

IR

Vibrations