Geometry & MOs

Info

ID:	173061
PubChem CID:	75591487
Reduced:	ON4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	276.169859
ΔH_f, kcal/mol:	91.51
Dipole, Da:	6.3
IP(EA), eV:	-8.42(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C=CCN1C=C(C=N1)C2=C(N=CN2C3C(CC4=CC=CC=C34)O)C5=CC=CC=C5

DOS

IR

Vibrations