Geometry & MOs

Info

ID:	183129
PubChem CID:	76981705
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	-47.79
Dipole, Da:	3.71
IP(EA), eV:	-8.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC(=C(C=C1)C(=NO)N)Cl

DOS

IR

Vibrations