Geometry & MOs

Info

ID:	357618
PubChem CID:	127294291
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	0.98
Dipole, Da:	5.68
IP(EA), eV:	-8.79(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)CCC3=NC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations