Geometry & MOs

Info

ID:	370705
PubChem CID:	127339943
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	347.177982
ΔH_f, kcal/mol:	45.32
Dipole, Da:	3.32
IP(EA), eV:	-9.39(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CN1C2=NC=C(C=C2C=N1)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations