Geometry & MOs

Info

ID:	179963
PubChem CID:	76558869
Reduced:	O3N13C34H49 (1)
Stoich.:	A3B13C34D49 (1)
Weight, g/mol:	276.098742
ΔH_f, kcal/mol:	90.6
Dipole, Da:	14.67
IP(EA), eV:	-8.32(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[2-(dimethylphosphorylmethoxy)-3-hydroxypropyl]-1,3,5-triazin-2-one

Drug info:

PubChemData

Smile

CCN(CC)CCCNC1=NC(=NC(=N1)NC2=CC=C(C=C2)NNC(=COC)OC=NC3=CC4=NC(=O)N=C4C=C3)NCCCN(CC)CC

DOS

IR

Vibrations