Geometry & MOs

Info

ID:	150262
PubChem CID:	53789950
Reduced:	OC2H2 (6)
Stoich.:	AB2C2 (6)
Weight, g/mol:	468.298808
ΔH_f, kcal/mol:	-243.02
Dipole, Da:	5.95
IP(EA), eV:	-10.88(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[4-[5-(4-butoxybutoxy)pyrimidin-2-yl]phenyl]dec-2-enoic acid

Drug info:

PubChemData

Smile

CCCC1=C(C(=CC(=C1)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations