Geometry & MOs

Info

ID:	70666
PubChem CID:	48413685
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	405.160103
ΔH_f, kcal/mol:	23.85
Dipole, Da:	4.95
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations