Geometry & MOs

Info

ID:	355707
PubChem CID:	127289780
Reduced:	FON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	1.78
IP(EA), eV:	-8.51(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations