Geometry & MOs

Info

ID:	267749
PubChem CID:	103587944
Reduced:	F2N2O3C14H14 (1)
Stoich.:	A2B2C3D14E14 (1)
Weight, g/mol:	349.03136
ΔH_f, kcal/mol:	-211.02
Dipole, Da:	2.33
IP(EA), eV:	-9.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[(3-amino-5-bromophenoxy)methyl]phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N2C(=O)C(C(=O)NC2=O)C(C)C)F

DOS

IR

Vibrations