Geometry & MOs

Info

ID:	261664
PubChem CID:	103244494
Reduced:	N3O3C13H25 (1)
Stoich.:	A3B3C13D25 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-153.64
Dipole, Da:	4.62
IP(EA), eV:	-8.41(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-thiophen-2-ylbutylamino)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CNCC1CCCCN1C)C(=O)OC

DOS

IR

Vibrations