Geometry & MOs

Info

ID:	181602
PubChem CID:	76765624
Reduced:	ON3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	0.09
Dipole, Da:	3.94
IP(EA), eV:	-8.09(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate

Drug info:

PubChemData

Smile

CC1=CNC(=O)C2N1C=CN2

DOS

IR

Vibrations