Geometry & MOs

Info

ID:	261941
PubChem CID:	103260399
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	151.044485
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	6.68
IP(EA), eV:	-9.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,2-difluoroethylamino)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)CNCC(C)(C)CO

DOS

IR

Vibrations