Geometry & MOs

Info

ID:	286995
PubChem CID:	104231674
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	16.68
Dipole, Da:	6.45
IP(EA), eV:	-9.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1OC)N2C3=CC=CC=C3N=N2)O

DOS

IR

Vibrations