Geometry & MOs

Info

ID:	23847
PubChem CID:	606678
Reduced:	SN4C8H10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	194.062618
ΔH_f, kcal/mol:	43.91
Dipole, Da:	4.31
IP(EA), eV:	-8.18(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2N1)SC)N

DOS

IR

Vibrations