Geometry & MOs

Info

ID:	429502
PubChem CID:	135169551
Reduced:	ClO2F3N4C20H20 (1)
Stoich.:	AB2C3D4E20F20 (1)
Weight, g/mol:	350.047695
ΔH_f, kcal/mol:	-147.56
Dipole, Da:	7.03
IP(EA), eV:	-8.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,3,3,3-tetrafluoro-1-morpholin-4-yl-N,N-bis(trifluoromethyl)prop-1-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=C(C=N2)C(=O)N/C(=C/C(=C(\N=C)/OC)/Cl)/C)C(F)(F)F)C

DOS

IR

Vibrations