Geometry & MOs

Info

ID:	157590
PubChem CID:	56435906
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	412.111773
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	4.73
IP(EA), eV:	-8.96(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=NN2C(C)(C)C)C(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations