Geometry & MOs

Info

ID:	256260
PubChem CID:	103138044
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-64.75
Dipole, Da:	4.75
IP(EA), eV:	-9.89(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(N=N2)C(C)(C)O

DOS

IR

Vibrations