Geometry & MOs

Info

ID:	138858
PubChem CID:	52435088
Reduced:	O2N4H18C25 (1)
Stoich.:	A2B4C18D25 (1)
Weight, g/mol:	420.158626
ΔH_f, kcal/mol:	104.23
Dipole, Da:	4.05
IP(EA), eV:	-8.68(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-(5-phenylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C(=O)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations