Geometry & MOs

Info

ID:	180489
PubChem CID:	76641453
Reduced:	OCl2N6H20C21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	481.10723
ΔH_f, kcal/mol:	125.93
Dipole, Da:	5.52
IP(EA), eV:	-8.12(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)CN=C3N=CC(=C4C=C(C(=O)C(=C4)Cl)Cl)N=N3

DOS

IR

Vibrations