Geometry & MOs

Info

ID:	197617
PubChem CID:	78982975
Reduced:	N3O4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	234.091689
ΔH_f, kcal/mol:	-196.23
Dipole, Da:	7.1
IP(EA), eV:	-9.76(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(2-fluorophenyl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1CCCN(C1)C(=O)C2CC(=O)NC2

DOS

IR

Vibrations