Geometry & MOs

Info

ID:	422239
PubChem CID:	135117473
Reduced:	OCl2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	356.192235
ΔH_f, kcal/mol:	-16.29
Dipole, Da:	2.64
IP(EA), eV:	-9.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-cyclopentylthiophen-2-yl)methyl]-4-(5-methylpyridin-2-yl)piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations