Geometry & MOs

Info

ID:	252544
PubChem CID:	103112161
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	311.10929
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	6.81
IP(EA), eV:	-9.73(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2C(=C(N=N2)C(=O)OCCOC)C)C

DOS

IR

Vibrations