Geometry & MOs

Info

ID:	258478
PubChem CID:	103154351
Reduced:	FN3O4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-115.34
Dipole, Da:	7.51
IP(EA), eV:	-9.73(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(1-pyridin-3-ylethyl)butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations