Geometry & MOs

Info

ID:	59233
PubChem CID:	24775802
Reduced:	BrN2O4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	484.09977
ΔH_f, kcal/mol:	-127.24
Dipole, Da:	5.99
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-2,6-dioxopiperidin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1[C@]2(CCC(=O)NC2=O)C3=CC=CC(=C3)C(=O)O)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations