Geometry & MOs

Info

ID:	335155
PubChem CID:	127254016
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	481.200156
ΔH_f, kcal/mol:	-91.12
Dipole, Da:	5.56
IP(EA), eV:	-8.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-(3-methylbutyl)-8-(4-oxochromen-3-yl)-2,5,11-triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),3(7),9,12,14-pentaen-6-one

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations