Geometry & MOs

Info

ID:	68664
PubChem CID:	46508862
Reduced:	O3N6C23H32 (1)
Stoich.:	A3B6C23D32 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	4.59
IP(EA), eV:	-9.2(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-4-[[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC(=O)NC(=O)NC4CCCCC4

DOS

IR

Vibrations