Geometry & MOs

Info

ID:	199220
PubChem CID:	79218953
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-37.08
Dipole, Da:	2.15
IP(EA), eV:	-8.9(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-diethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=NO)C1=CC(=CC=C1)OCC2COC3=CC=CC=C23

DOS

IR

Vibrations