Geometry & MOs

Info

ID:	349830
PubChem CID:	127276222
Reduced:	ON5C22H33 (1)
Stoich.:	AB5C22D33 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-18.3
Dipole, Da:	4.45
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCCC3CN4CCCCC4)C

DOS

IR

Vibrations