Geometry & MOs

Info

ID:	430853
PubChem CID:	135170920
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-2.44
Dipole, Da:	3.94
IP(EA), eV:	-8.67(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-piperidin-4-yloxy-5-(7-piperidin-4-yloxy-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=C(C=C2)OC=N3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations