Geometry & MOs

Info

ID:	297484
PubChem CID:	117618811
Reduced:	P2O5C6H16 (1)
Stoich.:	A2B5C6D16 (1)
Weight, g/mol:	649.385272
ΔH_f, kcal/mol:	-345.14
Dipole, Da:	4.39
IP(EA), eV:	-10.43(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-piperidin-1-yl-2-[4-[1-[2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethyl]triazol-4-yl]phenyl]benzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CCC(CC)(P(=O)(C)O)P(=O)(O)O

DOS

IR

Vibrations