Geometry & MOs

Info

ID:	448161
PubChem CID:	135288901
Reduced:	OF2N6H22C28 (1)
Stoich.:	AB2C6D22E28 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	56.42
Dipole, Da:	7.4
IP(EA), eV:	-8.38(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,5S)-6-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)CC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=COC=C7

DOS

IR

Vibrations