Geometry & MOs

Info

ID:	182648
PubChem CID:	76917392
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-7.96
Dipole, Da:	2.29
IP(EA), eV:	-8.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[2-cyanoethyl(methyl)amino]methyl]thiophen-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC2C(C1)OCCN2C3=NC=C(C=C3)C(=NO)N

DOS

IR

Vibrations