Geometry & MOs

Info

ID:	373816
PubChem CID:	131320332
Reduced:	BrN3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	240.055322
ΔH_f, kcal/mol:	58.28
Dipole, Da:	3.03
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-chloro-2-oxopropyl)-3-methylphenyl]acetic acid

Drug info:

PubChemData

Smile

C=C[C@H](C1=CC(=CN=C1)Br)N2CCNCC2

DOS

IR

Vibrations