Geometry & MOs

Info

ID:	277686
PubChem CID:	103830363
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	341.02627
ΔH_f, kcal/mol:	-20.89
Dipole, Da:	4.17
IP(EA), eV:	-9.42(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-bromo-3-hydroxybenzoyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations