Geometry & MOs

Info

ID:	394119
PubChem CID:	135022381
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	2.9
Dipole, Da:	4.33
IP(EA), eV:	-9.61(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylmethoxy-3-[5-(phenylmethoxymethyl)triazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCCCCCCCN1C(=CN=N1)COCC2=CC=CC=C2

DOS

IR

Vibrations