Geometry & MOs

Info

ID:	440086
PubChem CID:	135229976
Reduced:	NSC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	467.274819
ΔH_f, kcal/mol:	1.21
Dipole, Da:	2.2
IP(EA), eV:	-8.86(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2E)-2-[(3Z,4E,5Z)-3,4-di(ethylidene)-7-pyrrolidin-1-ylocta-5,7-dien-2-ylidene]-3-methylidenepiperazin-1-yl]methyl]-3,6-difluorophenol

Drug info:

PubChemData

Smile

C1CC1CN2CCC(CC2)S

DOS

IR

Vibrations