Geometry & MOs

Info

ID:	435322
PubChem CID:	135191194
Reduced:	ON9C19H31 (1)
Stoich.:	AB9C19D31 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	14.27
Dipole, Da:	5.91
IP(EA), eV:	-8.52(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3aS)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1CN(C[C@H]1CC(C)N(C)C2=NC=NC3=C2C=CN3)C(=O)N/C(=N/CNC)/N

DOS

IR

Vibrations