Geometry & MOs

Info

ID:	156877
PubChem CID:	56394822
Reduced:	O2N7C21H21 (1)
Stoich.:	A2B7C21D21 (1)
Weight, g/mol:	477.163474
ΔH_f, kcal/mol:	69.11
Dipole, Da:	14.64
IP(EA), eV:	-8.67(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CN=CC=C2)C)C(=O)NC3=CC(=C(C=C3)OC)N4C(=NN=N4)C

DOS

IR

Vibrations