Geometry & MOs

Info

ID:	62766
PubChem CID:	26736662
Reduced:	O3N4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	395.146762
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	14.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762605
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

DOS

IR

Vibrations