Geometry & MOs

Info

ID:	328363
PubChem CID:	126700831
Reduced:	NOH15C19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	244.051574
ΔH_f, kcal/mol:	51.34
Dipole, Da:	1.05
IP(EA), eV:	-8.5(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloropyridin-4-yl)methyl]benzotriazole

Drug info:

PubChemData

Smile

C1CN2C=CC=CC2C3=CC4=C(C=C31)OC5=CC=CC=C54

DOS

IR

Vibrations