Geometry & MOs

Info

ID:	313721
PubChem CID:	126617330
Reduced:	ON7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	476.199445
ΔH_f, kcal/mol:	96.05
Dipole, Da:	6.09
IP(EA), eV:	-8.41(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1,3-thiazol-4-yl]-2-(phenylmethoxymethyl)-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN(N=C3)C4=NC=CC5=C4NC=NC5=O

DOS

IR

Vibrations