Geometry & MOs

Info

ID:	183133
PubChem CID:	76981930
Reduced:	BrNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-128.15
Dipole, Da:	4.1
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-ethoxyphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCC(C2)C(=O)O

DOS

IR

Vibrations