Geometry & MOs

Info

ID:	213755
PubChem CID:	81064875
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	315.08735
ΔH_f, kcal/mol:	-143.49
Dipole, Da:	3.37
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-4,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations