Geometry & MOs

Info

ID:	416169
PubChem CID:	135089178
Reduced:	F2O2N3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	328.135384
ΔH_f, kcal/mol:	-117.25
Dipole, Da:	4.39
IP(EA), eV:	-9.25(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-[methyl-[2-(oxan-4-yl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)CC2=C(C=CC(=C2F)F)OC

DOS

IR

Vibrations