Geometry & MOs

Info

ID:	178355
PubChem CID:	76314695
Reduced:	ClN9C33H70 (1)
Stoich.:	AB9C33D70 (1)
Weight, g/mol:	421.143784
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	2.52
IP(EA), eV:	-9.0(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[[(E,1E)-1-(3-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-(4-methoxyphenyl)prop-2-enyl]amino]urea

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1CNCCCCNCCCCN)CNCCCCNCCCCN)CNCCCCNCCCCN.Cl

DOS

IR

Vibrations