Geometry & MOs

Info

ID:	338494
PubChem CID:	127259186
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	201.019271
ΔH_f, kcal/mol:	-89.48
Dipole, Da:	1.91
IP(EA), eV:	-9.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloropyridin-2-yl)oxymethyl acetate

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C(C=C2)Br)C(=N1)OCCOC(=O)C

DOS

IR

Vibrations