Geometry & MOs

Info

ID:	129877
PubChem CID:	51074123
Reduced:	NO4C17H23 (1)
Stoich.:	AB4C17D23 (1)
Weight, g/mol:	292.133554
ΔH_f, kcal/mol:	-152.04
Dipole, Da:	4.84
IP(EA), eV:	-8.68(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-5-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1(CCCC1)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations