Geometry & MOs

Info

ID:	20128
PubChem CID:	579832
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	1.64
IP(EA), eV:	-8.47(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-trien-15-one

Drug info:

PubChemData

Smile

C1CN2CCC34C2C5(C1=O)CCC3(CC5)NC6=CC=CC=C46

DOS

IR

Vibrations