Geometry & MOs

Info

ID:	426005
PubChem CID:	135134769
Reduced:	NF2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	421.178172
ΔH_f, kcal/mol:	-189.28
Dipole, Da:	1.35
IP(EA), eV:	-9.72(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-chlorophenyl)-6-methyl-12-[(4-methylpiperazin-1-yl)methyl]-2,4,5,8,13-pentazatricyclo[8.4.0.03,7]tetradeca-1(10),2,6,8,11,13-hexaene

Drug info:

PubChemData

Smile

C1CC(CC([C@@H]1CN)(F)F)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations