Geometry & MOs

Info

ID:	16964
PubChem CID:	481152
Reduced:	BrN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	426.09429
ΔH_f, kcal/mol:	-41.06
Dipole, Da:	2.6
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-bromo-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(=C(C2=CC=CC=C2)Br)C(=O)N3CCCCC3

DOS

IR

Vibrations