Geometry & MOs

Info

ID:	396599
PubChem CID:	135028819
Reduced:	SO6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-208.99
Dipole, Da:	0.59
IP(EA), eV:	-8.93(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-pyrimidin-2-ylpent-4-enoate

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@H]2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C

DOS

IR

Vibrations