Geometry & MOs

Info

ID:	370553
PubChem CID:	127339688
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	361.193632
ΔH_f, kcal/mol:	-44.75
Dipole, Da:	2.48
IP(EA), eV:	-9.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1C2=NOC=N2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations