Geometry & MOs

Info

ID:	126761
PubChem CID:	50977325
Reduced:	ON6C23H24 (1)
Stoich.:	AB6C23D24 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	86.95
Dipole, Da:	4.5
IP(EA), eV:	-8.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenyl-1H-pyrazol-5-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1COCCN1C(CN2C=NC(=C2C3=CN=CN3)C4=CC=CC=C4)C5=CC=NC=C5

DOS

IR

Vibrations