Geometry & MOs

Info

ID:	313032
PubChem CID:	126610831
Reduced:	N5O11C39H65 (1)
Stoich.:	A5B11C39D65 (1)
Weight, g/mol:	284.109568
ΔH_f, kcal/mol:	-492.51
Dipole, Da:	4.05
IP(EA), eV:	-9.0(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(CCOC(=O)CC(C)(C)CC(C)(C)C(=O)ON1C(=O)CCC1=O)OCC(C)(C)OCCOC(=N)CC(C)(C)CC(C)(C)/C(=N/N2C(=O)CCC2=O)/N

DOS

IR

Vibrations