Geometry & MOs

Info

ID:	358598
PubChem CID:	127296357
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-81.54
Dipole, Da:	3.02
IP(EA), eV:	-9.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methoxy-4-methylphenyl)cyclopentyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)C(=O)C2=C(N=CC=C2)C

DOS

IR

Vibrations