Geometry & MOs

Info

ID:	21822
PubChem CID:	591702
Reduced:	OCl2N5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	323.034065
ΔH_f, kcal/mol:	9.73
Dipole, Da:	3.41
IP(EA), eV:	-9.08(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-diamino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dichlorophenyl)methanone

Drug info:

PubChemData

Smile

C1C2=C(CN1C(=O)C3=C(C=C(C=C3)Cl)Cl)N=C(N=C2N)N

DOS

IR

Vibrations