Geometry & MOs

Info

ID:	229697
PubChem CID:	87568513
Reduced:	NOC26H33 (1)
Stoich.:	ABC26D33 (1)
Weight, g/mol:	502.136088
ΔH_f, kcal/mol:	23.19
Dipole, Da:	3.94
IP(EA), eV:	-8.33(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-4-methyl-5-[5-[(Z)-pent-1-enyl]thiophen-2-yl]-N-piperidin-1-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]12CCC(=CC1=CC[C@@H]3[C@H]2CC[C@]4([C@H]3C(=C)C(=C)C4(CC=C)C#N)C)OC

DOS

IR

Vibrations