Geometry & MOs

Info

ID:	287834
PubChem CID:	104296120
Reduced:	BrOF2N2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	285.00006
ΔH_f, kcal/mol:	-92.39
Dipole, Da:	2.69
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-methylbenzoyl)-methylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2F)F)N)Br

DOS

IR

Vibrations