Geometry & MOs

Info

ID:	297320
PubChem CID:	117615036
Reduced:	ClNO5H12C16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	533.282698
ΔH_f, kcal/mol:	-168.12
Dipole, Da:	3.44
IP(EA), eV:	-10.44(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-N,8-N-dimethyl-6-N-propylpyrimido[5,4-d]pyrimidine-4,6,8-triamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)C2=C(C=C(C=C2)Cl)C(=O)O)C(=O)O

DOS

IR

Vibrations