Geometry & MOs

Info

ID:	360412
PubChem CID:	127301057
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	36.78
Dipole, Da:	7.21
IP(EA), eV:	-9.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)N4CCCC(C4)N5C=C(C=N5)C

DOS

IR

Vibrations