Geometry & MOs

Info

ID:	60855
PubChem CID:	26702682
Reduced:	ON5H15C21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	448.153541
ΔH_f, kcal/mol:	119.65
Dipole, Da:	7.82
IP(EA), eV:	-9.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-(2-methoxydibenzofuran-3-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C#N

DOS

IR

Vibrations