Geometry & MOs

Info

ID:	436471
PubChem CID:	135203340
Reduced:	N2Cl3F3O4C18H20 (1)
Stoich.:	A2B3C3D4E18F20 (1)
Weight, g/mol:	424.35526
ΔH_f, kcal/mol:	-336.18
Dipole, Da:	1.87
IP(EA), eV:	-9.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylideneicosanoic acid;methyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)CC(Cl)(Cl)Cl

DOS

IR

Vibrations