Geometry & MOs

Info

ID:	213756
PubChem CID:	81064880
Reduced:	ClNO5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	305.087492
ΔH_f, kcal/mol:	-200.43
Dipole, Da:	3.2
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=C(C(=C1)Cl)OC)OC

DOS

IR

Vibrations