Geometry & MOs

Info

ID:	425755
PubChem CID:	135127839
Reduced:	ClFN5C24H27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	417.172024
ΔH_f, kcal/mol:	31.78
Dipole, Da:	7.92
IP(EA), eV:	-8.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-chloro-2-[1-[(5-cyanocyclohepta-1,4,6-trien-1-yl)amino]ethyl]cyclohepta-1,4,6-trien-1-yl]-2-pyridin-3-ylethanimidamide

Drug info:

PubChemData

Smile

CN(C)CCCC1=CC2=C(C=C1)N/C(=C\3/CN=CC=C3)/NC2NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations