Geometry & MOs

Info

ID:	201456
PubChem CID:	79541005
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	397.09026
ΔH_f, kcal/mol:	-99.44
Dipole, Da:	4.51
IP(EA), eV:	-9.09(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-iodophenyl)methyl]piperidin-2-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)C2CCCCN2CC(=O)NCC3CC3

DOS

IR

Vibrations