Geometry & MOs

Info

ID:	69177
PubChem CID:	46530318
Reduced:	BrNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	384.12407
ΔH_f, kcal/mol:	-162.19
Dipole, Da:	3.78
IP(EA), eV:	-9.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chlorophenyl)ethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)Br)C

DOS

IR

Vibrations