Geometry & MOs

Info

ID:	358599
PubChem CID:	127296358
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-56.73
Dipole, Da:	2.66
IP(EA), eV:	-8.82(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(4-phenylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCCC2)C(=O)N3CCN(CC3)CC4=NC(=NO4)C)OC

DOS

IR

Vibrations