Geometry & MOs

Info

ID:	207331
PubChem CID:	80379748
Reduced:	NF2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-103.2
Dipole, Da:	1.22
IP(EA), eV:	-8.75(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-ethyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(CC1=C(C=CC=C1F)F)NCC

DOS

IR

Vibrations