Geometry & MOs

Info

ID:	361702
PubChem CID:	127304417
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-70.1
Dipole, Da:	8.77
IP(EA), eV:	-9.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C(C)C4=NC(=NO4)C

DOS

IR

Vibrations