Geometry & MOs

Info

ID:	334157
PubChem CID:	127252709
Reduced:	N2O5H20C22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	373.142641
ΔH_f, kcal/mol:	-132.38
Dipole, Da:	5.66
IP(EA), eV:	-8.33(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-8-(3-hydroxyphenyl)-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

CC(=O)NCCN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42

DOS

IR

Vibrations