Geometry & MOs

Info

ID:	336235
PubChem CID:	127255242
Reduced:	ON3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	423.139448
ΔH_f, kcal/mol:	14.95
Dipole, Da:	7.27
IP(EA), eV:	-8.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-8-[3-(difluoromethoxy)phenyl]-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

C1CN(CC=C1C2=CNC3=CC=CC=C32)C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations