Geometry & MOs

Info

ID:	443328
PubChem CID:	135258599
Reduced:	SN6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	392.176087
ΔH_f, kcal/mol:	99.84
Dipole, Da:	4.83
IP(EA), eV:	-7.99(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-[(2Z)-2-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)hydrazinyl]ethenyl]piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)C(=S)CN/N=C\3/CCN(C4=C3N=CC=C4)C

DOS

IR

Vibrations