Geometry & MOs

Info

ID:	286994
PubChem CID:	104231673
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	14.25
Dipole, Da:	7.17
IP(EA), eV:	-9.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(benzotriazol-1-yl)-6-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC)N2C3=CC=CC=C3N=N2)O

DOS

IR

Vibrations