Geometry & MOs

Info

ID:	373970
PubChem CID:	131321852
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	-61.53
Dipole, Da:	4.31
IP(EA), eV:	-9.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(CCC1CNC(=O)C2=CN=CO2)N

DOS

IR

Vibrations