Geometry & MOs

Info

ID:	254613
PubChem CID:	103126525
Reduced:	Cl2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	308.109625
ΔH_f, kcal/mol:	67.91
Dipole, Da:	1.12
IP(EA), eV:	-8.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(CC3=C(C=CC=C3Cl)Cl)N

DOS

IR

Vibrations