Geometry & MOs

Info

ID:	448276
PubChem CID:	135289826
Reduced:	FNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	-195.26
Dipole, Da:	3.7
IP(EA), eV:	-10.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(N([C@@H](CO1)C(=O)C2=CC=C(C=C2)F)C(=O)O)C

DOS

IR

Vibrations