Geometry & MOs

Info

ID:	224914
PubChem CID:	85696267
Reduced:	O2F3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-279.96
Dipole, Da:	4.43
IP(EA), eV:	-10.95(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[N-(hydroxymethyl)anilino]methyl 3-[4-(3-oxoprop-1-enyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCCC(=CC(=O)OC(C)(C)C)C(F)(F)F

DOS

IR

Vibrations