Geometry & MOs

Info

ID:	213626
PubChem CID:	81064420
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	302.071428
ΔH_f, kcal/mol:	-174.82
Dipole, Da:	2.88
IP(EA), eV:	-9.83(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-difluoro-5-nitrobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations