Geometry & MOs

Info

ID:	21581
PubChem CID:	589055
Reduced:	ON2C20H20 (1)
Stoich.:	AB2C20D20 (1)
Weight, g/mol:	304.157563
ΔH_f, kcal/mol:	2.66
Dipole, Da:	2.51
IP(EA), eV:	-8.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,10,12-trimethyl-2,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaen-9-one

Drug info:

PubChemData

Smile

CC12CC3(C(=O)C4=CC=CC=C4N3C1(NC5=CC=CC=C25)C)C

DOS

IR

Vibrations