Geometry & MOs

Info

ID:	371448
PubChem CID:	127346433
Reduced:	ON7C18H25 (1)
Stoich.:	AB7C18D25 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	33.99
Dipole, Da:	6.54
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-1,3-oxazol-4-yl)-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=NC(=NC=C3)N4CCCC4

DOS

IR

Vibrations