Geometry & MOs

Info

ID:	197076
PubChem CID:	78918852
Reduced:	BrNSO3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-113.0
Dipole, Da:	6.47
IP(EA), eV:	-8.58(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(3,4-dimethylphenyl)acetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCCN(C1)C(=O)CSC2=CC=C(C=C2)Br

DOS

IR

Vibrations