Geometry & MOs

Info

ID:	269932
PubChem CID:	103620218
Reduced:	IO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	288.127406
ΔH_f, kcal/mol:	26.89
Dipole, Da:	9.41
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1CC2CC(CCN2C1)NC3=CC(=C(C=C3)[N+](=O)[O-])I

DOS

IR

Vibrations