Geometry & MOs

Info

ID:	261478
PubChem CID:	103235548
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	-75.08
Dipole, Da:	5.82
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-thiophen-2-ylethylamino)methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=O)O)CNCCC2=CC=CS2

DOS

IR

Vibrations