Geometry & MOs

Info

ID:	355724
PubChem CID:	127289797
Reduced:	SN6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	77.53
Dipole, Da:	6.28
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN4CCC5=CN=CN=C5C4)N

DOS

IR

Vibrations