Geometry & MOs

Info

ID:	156303
PubChem CID:	56370022
Reduced:	BrClOSN3H15C18 (1)
Stoich.:	ABCDE3F15G18 (1)
Weight, g/mol:	413.199094
ΔH_f, kcal/mol:	36.34
Dipole, Da:	3.65
IP(EA), eV:	-9.09(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-benzyl-2-hydroxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=C(N=C(S2)NC(=O)C3=C(N=CC(=C3)Br)Cl)C

DOS

IR

Vibrations