Geometry & MOs

Info

ID:	291718
PubChem CID:	113460488
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-119.59
Dipole, Da:	3.62
IP(EA), eV:	-9.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-5-methylbenzoyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)C(=O)N2CCCC2CC(=O)O

DOS

IR

Vibrations