Geometry & MOs

Info

ID:	359352
PubChem CID:	127298404
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-49.1
Dipole, Da:	6.93
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)N3CCC(CC3)CC(=O)N4CCN(CC4)C

DOS

IR

Vibrations