Geometry & MOs

Info

ID:	349027
PubChem CID:	127274753
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-118.85
Dipole, Da:	2.49
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)CN2CCOCC2)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations