Geometry & MOs

Info

ID:	335103
PubChem CID:	127253909
Reduced:	NO5H13C18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	485.267842
ΔH_f, kcal/mol:	-135.94
Dipole, Da:	8.75
IP(EA), eV:	-8.7(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-(4-octoxyphenyl)-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

CC1=CC2=C(C(=C(O2)C3=CC4=CC=CC=C4O3)CC(=O)O)C(=O)N1

DOS

IR

Vibrations