Geometry & MOs

Info

ID:	372265
PubChem CID:	131295141
Reduced:	BrN2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	260.0007
ΔH_f, kcal/mol:	54.38
Dipole, Da:	7.25
IP(EA), eV:	-8.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-5-(1-chloro-2-oxopropyl)benzoate

Drug info:

PubChemData

Smile

CCN1C=C(C2=C1C=CC=C2Br)CC#N

DOS

IR

Vibrations