Geometry & MOs

Info

ID:	411339
PubChem CID:	135084162
Reduced:	O2F3C11H11 (1)
Stoich.:	A2B3C11D11 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-235.8
Dipole, Da:	2.32
IP(EA), eV:	-10.4(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpent-3-enyl)-2-propan-2-ylpropanedial

Drug info:

PubChemData

Smile

CC(=O)CC(C1=CC(=CC=C1)C(F)(F)F)O

DOS

IR

Vibrations