Geometry & MOs

Info

ID:	449993
PubChem CID:	135303009
Reduced:	O2N6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	34.44
Dipole, Da:	2.72
IP(EA), eV:	-8.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2([C@H]1C(=O)N[C@@H](CO)C3=CC=CC(=C3)C#N)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations