Geometry & MOs

Info

ID:	449977
PubChem CID:	135302911
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-30.94
Dipole, Da:	3.05
IP(EA), eV:	-10.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-2-phenylpropan-2-yl)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)C1(CC1)C#N

DOS

IR

Vibrations