Geometry & MOs

Info

ID:	137226
PubChem CID:	52172822
Reduced:	FO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	8.75
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[[(1R)-1-[4-(propanoylamino)phenyl]ethyl]amino]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC2=C(C=C(C=C2)[N+](=O)[O-])F)C

DOS

IR

Vibrations