Geometry & MOs

Info

ID:	265059
PubChem CID:	103508756
Reduced:	OS2N4C12H22 (1)
Stoich.:	AB2C4D12E22 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	7.42
IP(EA), eV:	-8.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-4-cyano-5-[[2-(dimethylamino)-2-methylpropyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CNC1=C(C(=C(S1)C(=O)N)N)SC)N(C)C

DOS

IR

Vibrations