Geometry & MOs

Info

ID:	149373
PubChem CID:	53789045
Reduced:	F2N4O4C37H42 (1)
Stoich.:	A2B4C4D37E42 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-199.86
Dipole, Da:	6.04
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenoxy)methyl]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)[C@@H](CC1=CC(=C(C=C1)F)F)N(C)C(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)N(C)C(=O)C4=CC=CC(=C4)CN)CO

DOS

IR

Vibrations