Geometry & MOs

Info

ID:	313743
PubChem CID:	126617388
Reduced:	ON3H7C9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	485.152161
ΔH_f, kcal/mol:	55.12
Dipole, Da:	4.09
IP(EA), eV:	-8.89(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-benzylphenoxy)methyl]-8-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CN(N=C2N)C3=NC=CC4=C3NC=NC4=O

DOS

IR

Vibrations