Geometry & MOs

Info

ID:	280042
PubChem CID:	103846523
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	4.17
IP(EA), eV:	-9.31(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1-phenylethylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCCNCCNC(=O)C1=NNC(=O)C=C1

DOS

IR

Vibrations