Geometry & MOs

Info

ID:	167674
PubChem CID:	74857272
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	239.061614
ΔH_f, kcal/mol:	-143.05
Dipole, Da:	4.15
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-methylthiophen-2-yl)prop-2-enoylamino]propanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C=CC(=O)NC(C)C(=O)O

DOS

IR

Vibrations