Geometry & MOs

Info

ID:	313036
PubChem CID:	126610870
Reduced:	N6O6C15H20 (1)
Stoich.:	A6B6C15D20 (1)
Weight, g/mol:	224.123486
ΔH_f, kcal/mol:	-207.0
Dipole, Da:	11.41
IP(EA), eV:	-9.07(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylthiophen-2-yl)-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(N1)NC(=NC2=O)N)CC(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations