Geometry & MOs

Info

ID:	217528
PubChem CID:	85087945
Reduced:	Cl2N2C13H17 (1)
Stoich.:	A2B2C13D17 (1)
Weight, g/mol:	372.16749
ΔH_f, kcal/mol:	31.93
Dipole, Da:	2.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998118
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]imidazo[4,5-d]triazin-4-amine

Drug info:

PubChemData

Smile

CN(C)C=C(C=[N+](C)C)C1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations