Geometry & MOs

Info

ID:	213506
PubChem CID:	81063931
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	302.071428
ΔH_f, kcal/mol:	-126.52
Dipole, Da:	4.26
IP(EA), eV:	-10.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,6-difluoro-3-nitrobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(ON=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations