Geometry & MOs

Info

ID:	349824
PubChem CID:	127276216
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-5.04
Dipole, Da:	4.0
IP(EA), eV:	-8.38(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations