Geometry & MOs

Info

ID:	293719
PubChem CID:	117397407
Reduced:	ClNOF2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-108.12
Dipole, Da:	3.17
IP(EA), eV:	-10.03(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[3-chloro-4-(methoxymethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1CC(C1)(C2=C(C=CC(=C2)Cl)C(F)F)N=C=O

DOS

IR

Vibrations