Geometry & MOs

Info

ID:	435450
PubChem CID:	135191494
Reduced:	ClN5H10C12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	307.93257
ΔH_f, kcal/mol:	84.74
Dipole, Da:	2.77
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-iodo-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C(=CN2)C3=CC=NC=C3)Cl

DOS

IR

Vibrations