Geometry & MOs

Info

ID:	360308
PubChem CID:	127300951
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	61.34
Dipole, Da:	2.92
IP(EA), eV:	-8.92(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C5CC5

DOS

IR

Vibrations