Geometry & MOs

Info

ID:	180485
PubChem CID:	76641367
Reduced:	FCl2O2N4H21C25 (1)
Stoich.:	AB2C2D4E21F25 (1)
Weight, g/mol:	419.989222
ΔH_f, kcal/mol:	33.13
Dipole, Da:	1.27
IP(EA), eV:	-9.08(-2.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-4-[3-[(3,4-dichlorophenyl)methylamino]-1,2,4-triazinan-6-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)COC2N=CC(=C3C=C(C(=O)C(=C3)Cl)Cl)N=N2)CC4=CC=C(C=C4)F

DOS

IR

Vibrations