Geometry & MOs

Info

ID:	226994
PubChem CID:	87559489
Reduced:	O6C33H62 (1)
Stoich.:	A6B33C62 (1)
Weight, g/mol:	270.219495
ΔH_f, kcal/mol:	-378.4
Dipole, Da:	3.71
IP(EA), eV:	-10.17(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutanal;(E)-6-methylhept-3-en-2-one;propan-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)C(CO)(C(C(=O)CCCCCCCCC)(C(=O)CCCCCCCCC)O)O

DOS

IR

Vibrations