Geometry & MOs

Info

ID:	89369
PubChem CID:	49961166
Reduced:	BrNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	332.04119
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	3.02
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-ethylphenyl) 3-phenylpropanoate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

DOS

IR

Vibrations