Geometry & MOs

Info

ID:	251529
PubChem CID:	103104682
Reduced:	NOF2C3H3 (3)
Stoich.:	ABC2D3E3 (3)
Weight, g/mol:	295.114376
ΔH_f, kcal/mol:	-387.73
Dipole, Da:	2.2
IP(EA), eV:	-11.34(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(5-hydroxypentyl)-5-(trifluoromethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations