Geometry & MOs

Info

ID:	185237
PubChem CID:	77272899
Reduced:	O3C27H32 (1)
Stoich.:	A3B27C32 (1)
Weight, g/mol:	481.227789
ΔH_f, kcal/mol:	-127.91
Dipole, Da:	1.35
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-12-(4-fluorophenyl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1(13),2,5,7,9-pentaen-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(=O)OC2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C

DOS

IR

Vibrations