Geometry & MOs

Info

ID:	335154
PubChem CID:	127254015
Reduced:	NO6H21C26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	-141.0
Dipole, Da:	3.24
IP(EA), eV:	-8.5(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-8-(2,4-dimethoxyphenyl)-11-methyl-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

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC(C5=CC(=CC=C5)O)O)OC

DOS

IR

Vibrations