Geometry & MOs

Info

ID:	344469
PubChem CID:	127267645
Reduced:	FO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	2.88
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)C3(CCOCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations