Geometry & MOs

Info

ID:	449811
PubChem CID:	135301734
Reduced:	FN8C29H29 (1)
Stoich.:	AB8C29D29 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	167.42
Dipole, Da:	9.13
IP(EA), eV:	-8.33(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-(2-methylpyrimidin-5-yl)-2,7-diazaspiro[4.4]nonane-2-carboxylate

Drug info:

PubChemData

Smile

C/C(=C\N=CN=C)/C1=CC\2=C(C=C1)NN/C2=C\3/C=C4C(=N3)C=CN=C4C5=CC(=CC(=C5)F)NCCN(C)C

DOS

IR

Vibrations