Geometry & MOs

Info

ID:	258316
PubChem CID:	103152858
Reduced:	BrNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-169.5
Dipole, Da:	4.44
IP(EA), eV:	-9.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-tert-butylbenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations