Geometry & MOs

Info

ID:	441850
PubChem CID:	135245898
Reduced:	NOCl2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	396.160456
ΔH_f, kcal/mol:	-36.78
Dipole, Da:	2.96
IP(EA), eV:	-8.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(chloromethyl)piperidin-4-yl]-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CC[C@H]2COC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations