Geometry & MOs

Info

ID:	285949
PubChem CID:	104140677
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	-41.75
Dipole, Da:	2.73
IP(EA), eV:	-8.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzotriazol-1-yl)-6-propan-2-ylpyridin-4-yl]methanol

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CO)N2CCCOC3=CC=CC=C32

DOS

IR

Vibrations