Geometry & MOs

Info

ID:	256259
PubChem CID:	103138043
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-3.3
Dipole, Da:	2.91
IP(EA), eV:	-7.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

COC1CCCC1NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations