Geometry & MOs

Info

ID:	264683
PubChem CID:	103482037
Reduced:	BrClO2N6H8C10 (1)
Stoich.:	ABC2D6E8F10 (1)
Weight, g/mol:	323.93195
ΔH_f, kcal/mol:	64.33
Dipole, Da:	4.58
IP(EA), eV:	-9.72(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-bromo-3-chlorophenyl)-2-chloropropanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Br)NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

DOS

IR

Vibrations