Geometry & MOs

Info

ID:	157928
PubChem CID:	56459049
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	428.199445
ΔH_f, kcal/mol:	22.1
Dipole, Da:	5.71
IP(EA), eV:	-8.98(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)CC3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations