Geometry & MOs

Info

ID:	344466
PubChem CID:	127267642
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	2.32
IP(EA), eV:	-9.3(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3(CCCCC3)C4=CC(=CC=C4)F

DOS

IR

Vibrations