Geometry & MOs

Info

ID:	180486
PubChem CID:	76641391
Reduced:	OCl4N4H14C16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	513.133445
ΔH_f, kcal/mol:	27.35
Dipole, Da:	7.9
IP(EA), eV:	-8.74(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=C2C=C(C(=O)C(=C2)Cl)Cl)NNC(N1)NCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations