Geometry & MOs

Info

ID:	433108
PubChem CID:	135173245
Reduced:	NH7C11 (5)
Stoich.:	AB7C11 (5)
Weight, g/mol:	291.148396
ΔH_f, kcal/mol:	298.93
Dipole, Da:	2.36
IP(EA), eV:	-8.51(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(benzotriazol-1-yl)-3-(4-ethylphenyl)iminoprop-1-en-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)C(C7=CC=CC=C76)(C8=CC=CC=C8)C9=CC=CC=N9)C1=C3C=CC2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations