Geometry & MOs

Info

ID:	191272
PubChem CID:	78124052
Reduced:	PO4N5C17H18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	2556.432958
ΔH_f, kcal/mol:	-115.49
Dipole, Da:	4.04
IP(EA), eV:	-9.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C(C=CC1(C2=CC=CC=C2)OCP(=O)(O)O)N3C=NC4=C(N=CN=C43)N

DOS

IR

Vibrations