Geometry & MOs

Info

ID:	394118
PubChem CID:	135022379
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	67.47
Dipole, Da:	5.4
IP(EA), eV:	-9.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octyl-5-(phenylmethoxymethyl)triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=CN=N2)COCC3=CC=CC=C3

DOS

IR

Vibrations