Geometry & MOs

Info

ID:	302161
PubChem CID:	124349735
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	409.284161
ΔH_f, kcal/mol:	6.01
Dipole, Da:	1.3
IP(EA), eV:	-8.69(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(diethylamino)phenyl]methyl]-2-[(3R)-3-methylpiperidin-1-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@H]1NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations