Geometry & MOs

Info

ID:	180484
PubChem CID:	76641100
Reduced:	ON4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	498.102559
ΔH_f, kcal/mol:	89.81
Dipole, Da:	5.52
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-4-[3-[[4-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methoxy]-3H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

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[C-]#[N+]CC1=CC=C(C=C1)C2=CC(=NC=N2)NCC(C3=CC=CC=C3)O

DOS

IR

Vibrations