Geometry & MOs

Info

ID:	258315
PubChem CID:	103152855
Reduced:	NO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	329.02627
ΔH_f, kcal/mol:	-239.12
Dipole, Da:	4.15
IP(EA), eV:	-10.05(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromo-5-methylbenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1C(CCO1)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations