Geometry & MOs

Info

ID:	33174
PubChem CID:	7885273
Reduced:	BrNO3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-94.05
Dipole, Da:	5.21
IP(EA), eV:	-9.49(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxopropyl 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)Br)C

DOS

IR

Vibrations