Geometry & MOs

Info

ID:	355731
PubChem CID:	127289804
Reduced:	ON7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	87.07
Dipole, Da:	4.92
IP(EA), eV:	-9.33(-1.28)
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)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3CN4CCC5=CN=CN=C5C4

DOS

IR

Vibrations