Geometry & MOs

Info

ID:	405809
PubChem CID:	135075475
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	197.087435
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	2.44
IP(EA), eV:	-9.02(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-trimethyl-1-(1,3-thiazol-2-yl)butan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(N1)CCC=C(C)C

DOS

IR

Vibrations