Geometry & MOs

Info

ID:	126757
PubChem CID:	50977001
Reduced:	ON3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	365.224932
ΔH_f, kcal/mol:	29.73
Dipole, Da:	7.18
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[[4-methyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C2=NNC(=C2)C(=O)NCC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations