Geometry & MOs

Info

ID:	272767
PubChem CID:	103756341
Reduced:	Br2O2N3H11C13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	324.95052
ΔH_f, kcal/mol:	-22.33
Dipole, Da:	4.88
IP(EA), eV:	-9.12(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)methyl 2-bromopyridine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NC2=NC=C(N=C2Br)Br

DOS

IR

Vibrations