Geometry & MOs

Info

ID:	273984
PubChem CID:	103806296
Reduced:	BrClON2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	309.113171
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	5.07
IP(EA), eV:	-9.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(4-chloro-2-methylbenzoyl)piperidin-2-yl]acetate

Drug info:

PubChemData

Smile

CNCCNC(=O)C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations