Geometry & MOs

Info

ID:	251441
PubChem CID:	103103980
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-118.1
Dipole, Da:	1.19
IP(EA), eV:	-9.69(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=NC=C(C=C1)/C=C/C(=O)O

DOS

IR

Vibrations