Geometry & MOs

Info

ID:	435319
PubChem CID:	135191187
Reduced:	N5C13H17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	97.88
Dipole, Da:	5.14
IP(EA), eV:	-8.38(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,6aR)-5-[7,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidin-4-yl(methyl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CN(C[C@@H]1C2CC1NC2)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations