Geometry & MOs

Info

ID:	366942
PubChem CID:	127321928
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-22.23
Dipole, Da:	6.86
IP(EA), eV:	-9.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-azaspiro[5.5]undec-9-en-2-yl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C(C)C)C(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations