Geometry & MOs

Info

ID:	355732
PubChem CID:	127289805
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	3.64
IP(EA), eV:	-9.12(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(CCCC2)C=C1)NC(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations