Geometry & MOs

Info

ID:	203239
PubChem CID:	79797979
Reduced:	FON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	2.99
IP(EA), eV:	-9.79(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C1=NC(=NO1)C2=CC(=CC=C2)F)N

DOS

IR

Vibrations