Geometry & MOs

Info

ID:	394117
PubChem CID:	135022378
Reduced:	N3O5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-121.88
Dipole, Da:	6.41
IP(EA), eV:	-9.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-(phenylmethoxymethyl)triazole

Drug info:

PubChemData

Smile

COC1C(OC(C1OC)OC)CN2C(=CN=N2)COCC3=CC=CC=C3

DOS

IR

Vibrations