Geometry & MOs

Info

ID:	203326
PubChem CID:	79813667
Reduced:	FION2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-71.25
Dipole, Da:	4.47
IP(EA), eV:	-8.93(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-amino-2-ethylbutanoyl)amino]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)NC1=C(C=C(C=C1)F)I)N

DOS

IR

Vibrations