Geometry & MOs

Info

ID:	269648
PubChem CID:	103618451
Reduced:	BrClN2O2F3H11C12 (1)
Stoich.:	ABC2D2E3F11G12 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-228.85
Dipole, Da:	3.3
IP(EA), eV:	-9.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC(F)(F)F)C(=O)C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations