Geometry & MOs

Info

ID:	422189
PubChem CID:	135117360
Reduced:	ClN2O2C18H23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	425.157326
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	5.74
IP(EA), eV:	-9.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)NC3CCCNC3=O

DOS

IR

Vibrations