Geometry & MOs

Info

ID:	251440
PubChem CID:	103103962
Reduced:	BrON3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-13.66
Dipole, Da:	4.56
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[6-[(2-amino-2-oxoethyl)-ethylcarbamoyl]pyridin-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=CC=N1)Br

DOS

IR

Vibrations