Geometry & MOs

Info

ID:	286993
PubChem CID:	104231672
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	6.15
IP(EA), eV:	-8.81(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2C=NC3=CC=CC=C32)O

DOS

IR

Vibrations