Geometry & MOs

Info

ID:	356642
PubChem CID:	127292061
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	1.75
IP(EA), eV:	-8.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)CC3CCCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations