Geometry & MOs

Info

ID:	370665
PubChem CID:	127339824
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	362.188881
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	7.25
IP(EA), eV:	-9.31(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3CC(=O)N(C3)C(C)(C)C

DOS

IR

Vibrations