Geometry & MOs

Info

ID:	58533
PubChem CID:	24702261
Reduced:	BrNO3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	341.02627
ΔH_f, kcal/mol:	-79.52
Dipole, Da:	9.28
IP(EA), eV:	-9.44(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-methoxybenzoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations