Geometry & MOs

Info

ID:	129226
PubChem CID:	51071992
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	5.56
Dipole, Da:	3.63
IP(EA), eV:	-9.45(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-methylsulfinyl-N-(pyrazol-1-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)C

DOS

IR

Vibrations