Geometry & MOs

Info

ID:	163452
PubChem CID:	57969134
Reduced:	ClN2O2H7C8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	379.95633
ΔH_f, kcal/mol:	-0.78
Dipole, Da:	3.37
IP(EA), eV:	-9.73(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-bromo-3-(1,3-dioxolan-2-yl)phenoxy]-2-chloro-3-isocyanopyridine

Drug info:

PubChemData

Smile

COCOC1=C(N=CC(=C1)[N+]#[C-])Cl

DOS

IR

Vibrations