Geometry & MOs

Info

ID:	370682
PubChem CID:	127339856
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	27.43
Dipole, Da:	6.25
IP(EA), eV:	-9.68(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCC(CC3)C4=CC=NN4C

DOS

IR

Vibrations