Geometry & MOs

Info

ID:	264253
PubChem CID:	103446808
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	198.071451
ΔH_f, kcal/mol:	-74.91
Dipole, Da:	3.14
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-one

Drug info:

PubChemData

Smile

CCC(C)(C(=O)C1=C(N=CC(=C1)C)N)O

DOS

IR

Vibrations