Geometry & MOs

Info

ID:	17492
PubChem CID:	501265
Reduced:	Cl2N5H11C13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	307.039151
ΔH_f, kcal/mol:	81.86
Dipole, Da:	7.43
IP(EA), eV:	-8.53(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-dichlorophenyl)methyl]-3H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC2=CN=C3C2=C(NC(=N3)N)N)Cl)Cl

DOS

IR

Vibrations