Geometry & MOs

Info

ID:	21595
PubChem CID:	589111
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-51.69
Dipole, Da:	2.47
IP(EA), eV:	-8.44(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-one

Drug info:

PubChemData

Smile

CCC1C2CC3C4C5(CC(C2C5=O)N3C1O)C6=CC=CC=C6N4C

DOS

IR

Vibrations