Geometry & MOs

Info

ID:	335759
PubChem CID:	127254621
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	411.119461
ΔH_f, kcal/mol:	-71.62
Dipole, Da:	4.38
IP(EA), eV:	-8.0(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-11-methyl-8-(3,4,5-trifluorophenyl)-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(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)NC2=C3C=CN(C3=CC=C2)C

DOS

IR

Vibrations