Geometry & MOs

Info

ID:	78780
PubChem CID:	49720290
Reduced:	ON4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	26.8
Dipole, Da:	3.5
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=CC=C2)NC(=O)CN3C(=CC(=N3)C)C

DOS

IR

Vibrations