Geometry & MOs

Info

ID:	202636
PubChem CID:	79702531
Reduced:	BrFNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	354.09429
ΔH_f, kcal/mol:	-123.29
Dipole, Da:	5.82
IP(EA), eV:	-9.34(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)N(CCC(=O)O)CC1=CC(=CC(=C1)Br)F

DOS

IR

Vibrations