Geometry & MOs

Info

ID:	369610
PubChem CID:	127334890
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-97.26
Dipole, Da:	4.04
IP(EA), eV:	-8.94(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-(3,4-dihydro-2H-chromen-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)CC3CCOCC3

DOS

IR

Vibrations