Geometry & MOs

Info

ID:	442704
PubChem CID:	135255839
Reduced:	N2O3F6C18H20 (1)
Stoich.:	A2B3C6D18E20 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-433.14
Dipole, Da:	6.02
IP(EA), eV:	-10.21(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[6-(azidomethyl)pyridin-2-yl]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CN(CCC12CC(C2)C3=NC(=CC=C3)C(F)(F)F)C(=O)O[C@H](CO)C(F)(F)F

DOS

IR

Vibrations