Geometry & MOs

Info

ID:	214054
PubChem CID:	81065938
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	297.078819
ΔH_f, kcal/mol:	-138.63
Dipole, Da:	4.69
IP(EA), eV:	-9.01(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3,4,5,6-pentafluoroanilino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)NCC(C)CC(=O)O

DOS

IR

Vibrations