Geometry & MOs

Info

ID:	445890
PubChem CID:	135269876
Reduced:	O2N7C22H23 (1)
Stoich.:	A2B7C22D23 (1)
Weight, g/mol:	345.15896
ΔH_f, kcal/mol:	28.16
Dipole, Da:	7.88
IP(EA), eV:	-8.67(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-N-(1H-indol-5-yl)-2-(1-pyridin-3-ylprop-2-enylideneamino)but-2-enamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(CCC1)C2=CN=C(C(=N2)C(=O)NC3=NC4=CC=CC=C4N3)N

DOS

IR

Vibrations