Geometry & MOs

Info

ID:	23394
PubChem CID:	603328
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-124.52
Dipole, Da:	1.34
IP(EA), eV:	-8.57(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(4-bromobenzoyl)amino]phenoxy]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)OC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations