Geometry & MOs

Info

ID:	443326
PubChem CID:	135258597
Reduced:	NC12H25 (1)
Stoich.:	AB12C25 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	1.38
IP(EA), eV:	-8.91(2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1CC1C(C)C(C)CC

DOS

IR

Vibrations