Geometry & MOs

Info

ID:	208502
PubChem CID:	80538155
Reduced:	NO3F4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	299.05605
ΔH_f, kcal/mol:	-295.17
Dipole, Da:	6.71
IP(EA), eV:	-10.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=C(C(=C1F)F)F)F)C(=O)O

DOS

IR

Vibrations