Geometry & MOs

Info

ID:	370610
PubChem CID:	127339760
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	375.209282
ΔH_f, kcal/mol:	37.53
Dipole, Da:	4.81
IP(EA), eV:	-9.27(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CN=C4C(=C3)C=NN4CC(C)C

DOS

IR

Vibrations