Geometry & MOs

Info

ID:	356641
PubChem CID:	127292060
Reduced:	O2F3N4C16H23 (1)
Stoich.:	A2B3C4D16E23 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-210.73
Dipole, Da:	3.72
IP(EA), eV:	-9.0(-0.57)
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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)C3CCCC(C3)C(F)(F)F

DOS

IR

Vibrations