Geometry & MOs

Info

ID:	365129
PubChem CID:	127316886
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	15.45
Dipole, Da:	5.26
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=C4C=NNC4=CC=C3

DOS

IR

Vibrations