Geometry & MOs

Info

ID:	287843
PubChem CID:	104296327
Reduced:	BrNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	328.98989
ΔH_f, kcal/mol:	-159.06
Dipole, Da:	8.48
IP(EA), eV:	-10.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2COCC2(C)C(=O)O)Br

DOS

IR

Vibrations