Geometry & MOs

Info

ID:	318266
PubChem CID:	126650169
Reduced:	SN2F4O4H18C22 (1)
Stoich.:	AB2C4D4E18F22 (1)
Weight, g/mol:	242.082205
ΔH_f, kcal/mol:	-289.02
Dipole, Da:	7.9
IP(EA), eV:	-9.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(chloromethyl)pyridin-4-yl]-methylamino]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(F)(F)F)[C@@H]2CCOC3=C2C=CC(=C3)S(=O)(=O)NC4=NC(=CC=C4)F

DOS

IR

Vibrations