Geometry & MOs

Info

ID:	346485
PubChem CID:	127270989
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	41.14
Dipole, Da:	4.03
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CC(=N2)C(=O)N3CCCC3CN4CCCC4)C5=CC=CC=C5

DOS

IR

Vibrations