Geometry & MOs

Info

ID:	172100
PubChem CID:	75466901
Reduced:	BrNO4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-135.53
Dipole, Da:	5.62
IP(EA), eV:	-9.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-methylpiperidine-4-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C2=COC(=C2)Br)C(=O)O

DOS

IR

Vibrations