Geometry & MOs

Info

ID:	355701
PubChem CID:	127289774
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	32.56
Dipole, Da:	6.09
IP(EA), eV:	-9.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=NC=NC=C21)CC(=O)N3CCN(CC3)CC4=CSC=C4

DOS

IR

Vibrations