Geometry & MOs

Info

ID:	84777
PubChem CID:	49869809
Reduced:	ON7H21C26 (1)
Stoich.:	AB7C21D26 (1)
Weight, g/mol:	363.144373
ΔH_f, kcal/mol:	153.49
Dipole, Da:	3.99
IP(EA), eV:	-9.16(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[1-(1H-indol-2-yl)-2-(1H-pyrazol-5-yl)ethyl]-1,2-dihydrotriazol-5-yl]-N-oxoprop-2-enamide

Drug info:

PubChemData

Smile

C1CC1C2=CN(C=N2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=C4)C5=NN=CN5C6=CC=CC=C6

DOS

IR

Vibrations