Geometry & MOs

Info

ID:	251530
PubChem CID:	103104692
Reduced:	F3N3O3C11H16 (1)
Stoich.:	A3B3C3D11E16 (1)
Weight, g/mol:	382.95509
ΔH_f, kcal/mol:	-248.09
Dipole, Da:	3.5
IP(EA), eV:	-10.68(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCCCO)C(F)(F)F

DOS

IR

Vibrations