Geometry & MOs

Info

ID:	335158
PubChem CID:	127254019
Reduced:	O8H22C27 (1)
Stoich.:	A8B22C27 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	-211.23
Dipole, Da:	6.97
IP(EA), eV:	-8.62(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-pyridin-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

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC(=C(C=C5)O)OC)OC

DOS

IR

Vibrations