Geometry & MOs

Info

ID:	416219
PubChem CID:	135089229
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	296.140389
ΔH_f, kcal/mol:	-95.27
Dipole, Da:	5.66
IP(EA), eV:	-9.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCCN(CC2)C(=O)CC3=CC(=NO3)C)C

DOS

IR

Vibrations