Geometry & MOs

Info

ID:	366383
PubChem CID:	127319864
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	-84.43
Dipole, Da:	4.35
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCN5C=CN=C5C4

DOS

IR

Vibrations