Geometry & MOs

Info

ID:	378807
PubChem CID:	134224907
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	293.138894
ΔH_f, kcal/mol:	11.73
Dipole, Da:	1.91
IP(EA), eV:	-8.8(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-4-yl]amino]butanenitrile

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2OCN1CN3CC4=CC=CC=C4CO3

DOS

IR

Vibrations