Geometry & MOs

Info

ID:	264039
PubChem CID:	103420536
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-95.08
Dipole, Da:	5.91
IP(EA), eV:	-8.05(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-(azocan-1-yl)-4-cyanothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCN(CC)C1=CC(=C(S1)C(=O)OC)N

DOS

IR

Vibrations