Geometry & MOs

Info

ID:	350607
PubChem CID:	127278642
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	301.165108
ΔH_f, kcal/mol:	-147.3
Dipole, Da:	2.67
IP(EA), eV:	-9.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclobutylpyrrolidin-1-yl)-[5-methyl-1-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4CCCO4

DOS

IR

Vibrations