Geometry & MOs

Info

ID:	224218
PubChem CID:	85340171
Reduced:	FOSN2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	320.113648
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	1.2
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diphenyl-2-(trifluoromethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CCC(C(C1)CSC2=CC=CC(=C2)F)C(=O)NCC#N

DOS

IR

Vibrations