Geometry & MOs

Info

ID:	357658
PubChem CID:	127294332
Reduced:	SN2O2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-111.35
Dipole, Da:	5.42
IP(EA), eV:	-8.89(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2CCNS(=O)(=O)C)C)C

DOS

IR

Vibrations