Geometry & MOs

Info

ID:	345749
PubChem CID:	127270049
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	2.72
IP(EA), eV:	-9.03(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations