Geometry & MOs

Info

ID:	258317
PubChem CID:	103152859
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	315.01062
ΔH_f, kcal/mol:	-180.77
Dipole, Da:	3.87
IP(EA), eV:	-9.6(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromobenzoyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations