Geometry & MOs

Info

ID:	281516
PubChem CID:	103913981
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	249.12774
ΔH_f, kcal/mol:	-84.82
Dipole, Da:	8.92
IP(EA), eV:	-9.64(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyano-2-fluorophenyl)methylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=C(C=CC(=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations