Geometry & MOs

Info

ID:	321788
PubChem CID:	126666981
Reduced:	ClNF3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	133.029442
ΔH_f, kcal/mol:	-137.23
Dipole, Da:	2.92
IP(EA), eV:	-8.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5,6-dihydro-4H-oxazine

Drug info:

PubChemData

Smile

CC/C(=C/NC)/C(=C\C=C)/C1=C(C=CC(=C1)Cl)CCC(F)(F)F

DOS

IR

Vibrations