Geometry & MOs

Info

ID:	254629
PubChem CID:	103126601
Reduced:	N3C16H25 (1)
Stoich.:	A3B16C25 (1)
Weight, g/mol:	324.086781
ΔH_f, kcal/mol:	23.59
Dipole, Da:	2.65
IP(EA), eV:	-8.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-pyrrolidin-2-yl-1-[2-(trifluoromethylsulfanyl)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCC(C1=C2C=CC=CN2N=C1)N

DOS

IR

Vibrations