Geometry & MOs

Info

ID:	193410
PubChem CID:	78391545
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	382.05421
ΔH_f, kcal/mol:	-148.83
Dipole, Da:	2.65
IP(EA), eV:	-10.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(3-iodoprop-2-enyl)piperidin-4-yl]methoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1(OCC(O1)C(C#CCO)OC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations