Geometry & MOs

Info

ID:	448281
PubChem CID:	135289853
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-14.94
Dipole, Da:	6.08
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyanomethyl)cyclopropyl] 2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC2([C@@H]1C(=O)O)CC2)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations