Geometry & MOs

Info

ID:	424317
PubChem CID:	135122177
Reduced:	OC12H12 (1)
Stoich.:	AB12C12 (1)
Weight, g/mol:	180.993056
ΔH_f, kcal/mol:	7.06
Dipole, Da:	2.83
IP(EA), eV:	-9.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloropyridin-3-yl) prop-2-ynoate

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)C2CCC2=O

DOS

IR

Vibrations