Geometry & MOs

Info

ID:	195125
PubChem CID:	78639006
Reduced:	ClFN2O5H16C18 (1)
Stoich.:	ABC2D5E16F18 (1)
Weight, g/mol:	357.05757
ΔH_f, kcal/mol:	-208.47
Dipole, Da:	7.75
IP(EA), eV:	-9.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(ethylamino)-1-oxopropan-2-yl] 4-(3-bromophenoxy)butanoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)COC2=CC=CC=C2C(=O)N

DOS

IR

Vibrations