Geometry & MOs

Info

ID:	287835
PubChem CID:	104296147
Reduced:	BrNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	285.00006
ΔH_f, kcal/mol:	-110.4
Dipole, Da:	6.32
IP(EA), eV:	-10.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-bromo-3-methylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations