Geometry & MOs

Info

ID:	355320
PubChem CID:	127288297
Reduced:	OSN5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	40.22
Dipole, Da:	2.78
IP(EA), eV:	-8.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)NC(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations