Geometry & MOs

Info

ID:	149269
PubChem CID:	53788941
Reduced:	O2N3H17C22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	394.098785
ΔH_f, kcal/mol:	42.53
Dipole, Da:	4.63
IP(EA), eV:	-8.3(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methoxy-5-nitro-4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

COC1=CN(C=C1)C=C2C3=C(C=CC=C3NC2=O)C4=CC5=C(C=C4)NC=C5

DOS

IR

Vibrations