Geometry & MOs

Info

ID:	155313
PubChem CID:	56352900
Reduced:	ClN2O2C24H35 (1)
Stoich.:	AB2C2D24E35 (1)
Weight, g/mol:	403.06439
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	2.71
IP(EA), eV:	-8.81(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3,5-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=CC=C2)Cl)C(=O)N3CCC(CC3)CCN4CCOCC4

DOS

IR

Vibrations