Geometry & MOs

Info

ID:	361484
PubChem CID:	127303619
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	5.0
IP(EA), eV:	-9.26(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-(oxan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)CCN3C=CN=N3

DOS

IR

Vibrations