Geometry & MOs

Info

ID:	323592
PubChem CID:	126675536
Reduced:	O6C21H28 (1)
Stoich.:	A6B21C28 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-277.96
Dipole, Da:	3.64
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopentyloxymethyl)phenyl]triazole

Drug info:

PubChemData

Smile

CC1=C2CCC3C4CC[C@@]([C@]4(CC(=O)[C@]3(C2=C(C=C1)O)O)C)(C(CO)O)O

DOS

IR

Vibrations