Geometry & MOs

Info

ID:	20131
PubChem CID:	579957
Reduced:	ON2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	338.235814
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	2.41
IP(EA), eV:	-8.49(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-8-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1C2CCC3(CCCN4C3C2(CC4)C5=CC=CC=C51)CC

DOS

IR

Vibrations