Geometry & MOs

Info

ID:	289471
PubChem CID:	104356551
Reduced:	BrClNO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	332.97673
ΔH_f, kcal/mol:	-130.69
Dipole, Da:	7.85
IP(EA), eV:	-10.13(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-2-chlorobenzoyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=O)O)NC(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations