Geometry & MOs

Info

ID:	157964
PubChem CID:	56459353
Reduced:	N2F3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-240.58
Dipole, Da:	3.66
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]carbamate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1OC(F)(F)F)C(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations