Geometry & MOs

Info

ID:	213548
PubChem CID:	81064101
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	241.092578
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	2.82
IP(EA), eV:	-8.99(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4,4,4-trifluorobutanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=C1C(=O)NCC(C)CC(=O)O)C)C

DOS

IR

Vibrations