Geometry & MOs

Info

ID:	447197
PubChem CID:	135281105
Reduced:	PF3N3O6C25H31 (1)
Stoich.:	AB3C3D6E25F31 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-413.63
Dipole, Da:	5.63
IP(EA), eV:	-7.93(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl(prop-2-enoyl)amino]hexanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C1C2=C(C=C(C=C2)N(C)C)OC3=C1C=CC(=C3)N(C)C)N(C)CCC(=O)OC(=O)C(F)(F)F

DOS

IR

Vibrations