Geometry & MOs

Info

ID:	148542
PubChem CID:	53788208
Reduced:	ON3C31H35 (1)
Stoich.:	AB3C31D35 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	71.43
Dipole, Da:	2.66
IP(EA), eV:	-7.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-3-yl)-5-propyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC2=CC(=CC(O2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations