Geometry & MOs

Info

ID:	370663
PubChem CID:	127339822
Reduced:	OSN7C15H23 (1)
Stoich.:	ABC7D15E23 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	57.18
Dipole, Da:	8.32
IP(EA), eV:	-9.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CCSC3=NN=NN3C

DOS

IR

Vibrations