Geometry & MOs

Info

ID:	251828
PubChem CID:	103107206
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	307.114376
ΔH_f, kcal/mol:	-15.76
Dipole, Da:	4.38
IP(EA), eV:	-8.61(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations