Geometry & MOs

Info

ID:	435449
PubChem CID:	135191493
Reduced:	N4C5H8 (1)
Stoich.:	A4B5C8 (1)
Weight, g/mol:	259.062473
ΔH_f, kcal/mol:	49.96
Dipole, Da:	6.29
IP(EA), eV:	-8.37(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(C1=C(N)N)N

DOS

IR

Vibrations