Geometry & MOs

Info

ID:	277092
PubChem CID:	103826681
Reduced:	BrClON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	372.0604
ΔH_f, kcal/mol:	11.61
Dipole, Da:	4.29
IP(EA), eV:	-9.5(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(1-tert-butylpiperidin-4-yl)-5-chlorobenzamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations