Geometry & MOs

Info

ID:	414657
PubChem CID:	135087616
Reduced:	ClO2N3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	413.181152
ΔH_f, kcal/mol:	-69.15
Dipole, Da:	3.17
IP(EA), eV:	-9.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-oxa-1,6,7,8,16,19,22-heptazatetracyclo[20.2.2.15,8.012,17]heptacosa-5(27),6,12(17),13,15-pentaene-2,18,21-trione

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=CC(=CN=C3)Cl)CO

DOS

IR

Vibrations