Geometry & MOs

Info

ID:	435318
PubChem CID:	135191184
Reduced:	FO2N5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	243.148396
ΔH_f, kcal/mol:	-78.67
Dipole, Da:	3.41
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(5S)-2-azabicyclo[2.1.1]hexan-5-yl]methyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C1C[C@H]2CN(CC2C1)C(=O)CO)C3=NC=NC4=C3C=C(N4)F

DOS

IR

Vibrations