Geometry & MOs

Info

ID:	424315
PubChem CID:	135122174
Reduced:	ClN2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	180.993056
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	5.82
IP(EA), eV:	-9.76(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloropyridin-3-yl)prop-2-ynoic acid

Drug info:

PubChemData

Smile

COCOC1=NOC(=C1)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations