Geometry & MOs

Info

ID:	14671
PubChem CID:	417264
Reduced:	BrNO2C27H28 (1)
Stoich.:	ABC2D27E28 (1)
Weight, g/mol:	477.13034
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	2.73
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-bromophenyl)-phenylmethyl] 3-phenyl-3-piperidin-1-ylpropanoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(CC(=O)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations