Geometry & MOs

Info

ID:	277044
PubChem CID:	103826408
Reduced:	BrClN2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	358.99238
ΔH_f, kcal/mol:	-78.17
Dipole, Da:	5.06
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-bromo-5-chlorobenzoyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations