Geometry & MOs

Info

ID:	355691
PubChem CID:	127289672
Reduced:	O3N4C18H32 (1)
Stoich.:	A3B4C18D32 (1)
Weight, g/mol:	363.22704
ΔH_f, kcal/mol:	-139.47
Dipole, Da:	5.11
IP(EA), eV:	-8.67(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3CCCO3

DOS

IR

Vibrations