Geometry & MOs

Info

ID:	394116
PubChem CID:	135022377
Reduced:	OC15H28 (1)
Stoich.:	AB15C28 (1)
Weight, g/mol:	363.179421
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	2.54
IP(EA), eV:	-10.11(2.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(phenylmethoxymethyl)-1-[(3,4,5-trimethoxyoxolan-2-yl)methyl]triazole

Drug info:

PubChemData

Smile

C[C@@]12C(CCCC1(C)C)C[C@@H](C2(C)C)CO

DOS

IR

Vibrations