Geometry & MOs

Info

ID:	172159
PubChem CID:	75472759
Reduced:	OF3N7C16H18 (1)
Stoich.:	AB3C7D16E18 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	10.28
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetyl-3-methylphenyl)-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=C2C(=NN=C2N(N1)C)NC(=O)C3CCN4C(=CN=C4C(F)(F)F)C3

DOS

IR

Vibrations