Geometry & MOs

Info

ID:	371516
PubChem CID:	127346755
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	4.36
Dipole, Da:	4.76
IP(EA), eV:	-8.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(C2)C(=O)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations