Geometry & MOs

Info

ID:	336464
PubChem CID:	127255471
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	231.980633
ΔH_f, kcal/mol:	33.37
Dipole, Da:	1.2
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-amino-3,6-dichloropyridin-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC[C@H](C1=C2C=CC=NC2=CC=C1)N

DOS

IR

Vibrations