Geometry & MOs

Info

ID:	60073
PubChem CID:	26675645
Reduced:	BrO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	250.085461
ΔH_f, kcal/mol:	-41.0
Dipole, Da:	3.58
IP(EA), eV:	-9.78(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yloxymethyl)benzonitrile

Drug info:

PubChemData

Smile

C1CCCC2(CC1)C(=O)N(C(=O)N2)CC3=NC(=NO3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations