Geometry & MOs

Info

ID:	278061
PubChem CID:	103833080
Reduced:	F2N2O2C9H18 (1)
Stoich.:	A2B2C2D9E18 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-217.98
Dipole, Da:	5.43
IP(EA), eV:	-10.0(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC(C(F)F)O)N

DOS

IR

Vibrations