Geometry & MOs

Info

ID:	213446
PubChem CID:	81063744
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-163.99
Dipole, Da:	2.7
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[3-(2-methylpropoxy)benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=O)N(C=C1)C

DOS

IR

Vibrations