Geometry & MOs

Info

ID:	336838
PubChem CID:	127255845
Reduced:	FO2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	264.164934
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	7.36
IP(EA), eV:	-9.98(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R)-2-(aminomethyl)-5,5-difluoro-3-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C(=O)O)C2=NC=C(C=N2)F

DOS

IR

Vibrations