Geometry & MOs

Info

ID:	418389
PubChem CID:	135104496
Reduced:	FN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-138.86
Dipole, Da:	5.33
IP(EA), eV:	-8.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CC(CCNC1=NOC(=C1C(=O)O)C2=CC(=C(C=C2)F)OC)N3CCCC3

DOS

IR

Vibrations