Geometry & MOs

Info

ID:	279181
PubChem CID:	103841887
Reduced:	BrClON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	373.00803
ΔH_f, kcal/mol:	7.17
Dipole, Da:	4.35
IP(EA), eV:	-9.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-bromo-4-chlorobenzoyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCN(CC#N)C(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations