Geometry & MOs

Info

ID:	170893
PubChem CID:	75295458
Reduced:	ClNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-110.88
Dipole, Da:	3.81
IP(EA), eV:	-9.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dioxo-1-phenylpyrrolidin-3-yl)cyclohexane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C=O)C1CC(=O)N(C1=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations