Geometry & MOs

Info

ID:	218746
PubChem CID:	85089900
Reduced:	IPN3O8C13H21 (1)
Stoich.:	ABC3D8E13F21 (1)
Weight, g/mol:	502.08518
ΔH_f, kcal/mol:	-405.64
Dipole, Da:	1.3
IP(EA), eV:	-10.21(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-bromo-1-(2-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-3-(4-nitrophenyl)urea

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)NCC1C(CC(O1)N2CC(C(=O)NC2=O)I)O)O

DOS

IR

Vibrations