Geometry & MOs

Info

ID:	258536
PubChem CID:	103154789
Reduced:	BrN3O4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	265.122655
ΔH_f, kcal/mol:	-72.69
Dipole, Da:	3.07
IP(EA), eV:	-9.62(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=C(C=C(C=C1)Br)[N+](=O)[O-])CN

DOS

IR

Vibrations