Geometry & MOs

Info

ID:	422752
PubChem CID:	135118353
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	66.98
Dipole, Da:	1.24
IP(EA), eV:	-8.93(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-19-oxa-3,9,14,15,16-pentazatetracyclo[18.2.2.13,7.114,17]hexacosa-1(22),15,17(25),20,23-pentaen-10-one

Drug info:

PubChemData

Smile

C1C(CN1CC2=CC(=CC=C2)OCC3=CC=CC=N3)C4=CC=CC=N4

DOS

IR

Vibrations