Geometry & MOs

Info

ID:	213518
PubChem CID:	81063977
Reduced:	ClNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-183.48
Dipole, Da:	5.61
IP(EA), eV:	-9.13(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluoro-3-methylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CC1=C(C=CC(=C1)Cl)OC

DOS

IR

Vibrations