Geometry & MOs

Info

ID:	191617
PubChem CID:	78168740
Reduced:	NPO6C9H12 (2)
Stoich.:	ABC6D9E12 (2)
Weight, g/mol:	240.109664
ΔH_f, kcal/mol:	-642.38
Dipole, Da:	3.89
IP(EA), eV:	-9.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-aminoethanol;1,3-dimethylpurin-3-ium-2,6-dione

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OC3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations