Geometry & MOs

Info

ID:	48823
PubChem CID:	11528367
Reduced:	COH2 (5)
Stoich.:	ABC2 (5)
Weight, g/mol:	150.079313
ΔH_f, kcal/mol:	-234.43
Dipole, Da:	6.6
IP(EA), eV:	-10.79(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrimidin-2-ylbutanal

Drug info:

PubChemData

Smile

C([C@@H]([C@@H](CO)O)O)C(=O)O

DOS

IR

Vibrations