Geometry & MOs

Info

ID:	53522
PubChem CID:	14716437
Reduced:	ClON3C20H26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	317.12949
ΔH_f, kcal/mol:	-2.05
Dipole, Da:	2.55
IP(EA), eV:	-8.44(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-(5-chloro-1,3-dihydrobenzotriazol-2-yl)-4-methylphenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)N2NC3=C(N2)C=C(C=C3)Cl)O)C(C)(C)C

DOS

IR

Vibrations