Geometry & MOs

Info

ID:	441421
PubChem CID:	135234591
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	429.290389
ΔH_f, kcal/mol:	2.77
Dipole, Da:	0.92
IP(EA), eV:	-8.2(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(5-fluoro-3a,7a-dihydro-1H-indol-3-yl)hexan-2-yl]-2-methyl-3-(1-piperazin-1-ylethylideneamino)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC(=C21)C)NC

DOS

IR

Vibrations