Geometry & MOs

Info

ID:	315758
PubChem CID:	126628681
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	560.188212
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	3.52
IP(EA), eV:	-8.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CN2C=NC3=C(C2=O)C=CN=C3C4=CN(N=C4)CCO

DOS

IR

Vibrations