Geometry & MOs

Info

ID:	249677
PubChem CID:	103091312
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	-136.83
Dipole, Da:	3.29
IP(EA), eV:	-8.6(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(2-methylpyrimidin-4-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C\C1=C(C(=C(C=C1)OC)OC)OC)/C)O

DOS

IR

Vibrations