Geometry & MOs

Info

ID:	277103
PubChem CID:	103826732
Reduced:	BrClNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	372.02402
ΔH_f, kcal/mol:	-73.64
Dipole, Da:	4.48
IP(EA), eV:	-9.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCN(CCOC)C(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations