Geometry & MOs

Info

ID:	445959
PubChem CID:	135270026
Reduced:	OSN5C22H23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	80.78
Dipole, Da:	3.77
IP(EA), eV:	-8.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-3-N-(3a-methyl-1,4-dihydroindol-5-yl)-2-methyl-1-[(Z)-2-pyridin-3-ylprop-2-enylideneamino]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)C2=NC(=C(N(C2)C)N)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations