Geometry & MOs

Info

ID:	346491
PubChem CID:	127270995
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	1.11
Dipole, Da:	3.06
IP(EA), eV:	-8.53(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations