Geometry & MOs

Info

ID:	22224
PubChem CID:	596331
Reduced:	BrN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	416.10994
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	5.5
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantylmethylamino)-1-(4-bromophenyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CNC4CC(=O)N(C4=O)C5=CC=C(C=C5)Br

DOS

IR

Vibrations