Geometry & MOs

Info

ID:	355706
PubChem CID:	127289779
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	369.196489
ΔH_f, kcal/mol:	15.86
Dipole, Da:	7.14
IP(EA), eV:	-8.93(-0.25)
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-(4-fluorophenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations