Geometry & MOs

Info

ID:	179203
PubChem CID:	76450985
Reduced:	PO5N6C10H13 (1)
Stoich.:	AB5C6D10E13 (1)
Weight, g/mol:	2096.136047
ΔH_f, kcal/mol:	-170.62
Dipole, Da:	3.79
IP(EA), eV:	-9.96(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CN(CC1N2C=NC3C2=NC(=NC3=O)N)C(=O)P(=O)(O)O

DOS

IR

Vibrations