Geometry & MOs

Info

ID:	258645
PubChem CID:	103155900
Reduced:	N2F3O4C11H17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	258.117984
ΔH_f, kcal/mol:	-334.1
Dipole, Da:	1.56
IP(EA), eV:	-9.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(2,5-difluorophenyl)methyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCC(C1)(C(=O)O)C(F)(F)F)CN

DOS

IR

Vibrations