Geometry & MOs

Info

ID:	185583
PubChem CID:	77316586
Reduced:	Cl2O2N3H19C23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-20.28
Dipole, Da:	6.52
IP(EA), eV:	-9.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[4-(4-pentanoylpiperazin-1-yl)phenyl]-1-azatricyclo[6.1.1.02,7]deca-2,4,6-trien-9-one

Drug info:

PubChemData

Smile

C1C(C=CC=C1Cl)C2CC(=O)NC(C23C4=C(C=C(C=C4)Cl)NC3=O)C5=CN=CC=C5

DOS

IR

Vibrations