Geometry & MOs

Info

ID:	84778
PubChem CID:	49869814
Reduced:	O2N7H17C18 (1)
Stoich.:	A2B7C17D18 (1)
Weight, g/mol:	465.18009
ΔH_f, kcal/mol:	144.62
Dipole, Da:	3.54
IP(EA), eV:	-8.85(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[1-(1H-indol-2-yl)-2-(4-phenoxyphenyl)ethyl]-1,2-dihydrotriazol-5-yl]-N-oxoprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)C(CC3=CC=NN3)N4C=C(NN4)/C=C/C(=O)N=O

DOS

IR

Vibrations