Geometry & MOs

Info

ID:	327701
PubChem CID:	126690779
Reduced:	ClOF4N6C18H21 (1)
Stoich.:	ABC4D6E18F21 (1)
Weight, g/mol:	179.965732
ΔH_f, kcal/mol:	-131.71
Dipole, Da:	3.64
IP(EA), eV:	-8.81(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-6-fluoro-4H-1,3-diazepine

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC(F)(F)F)N/C(=C(/C=NC/C/1=C/N/N=C\C(=C/C1=C)\Cl)\F)/N=C

DOS

IR

Vibrations