Geometry & MOs

Info

ID:	294072
PubChem CID:	117426297
Reduced:	NF2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-174.63
Dipole, Da:	3.45
IP(EA), eV:	-9.38(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(2,3,6-trimethoxyphenyl)butanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CN)C2=CC3=C(C=C2)OC(O3)(F)F

DOS

IR

Vibrations