Geometry & MOs

Info

ID:	326699
PubChem CID:	126688034
Reduced:	ClC11H15 (1)
Stoich.:	AB11C15 (1)
Weight, g/mol:	419.177982
ΔH_f, kcal/mol:	50.2
Dipole, Da:	2.96
IP(EA), eV:	-10.5(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-3-ethyl-4-[4-[[2-[methyl(methylsulfanyl)amino]phenyl]methylamino]-1,2-dihydropyrazolo[4,3-c]pyridin-6-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(CCC(CC#C)CC#C)Cl

DOS

IR

Vibrations