Geometry & MOs

Info

ID:	361107
PubChem CID:	127302023
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-100.25
Dipole, Da:	4.44
IP(EA), eV:	-8.52(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)CC2=CC3=C(C=C2)OCCO3)C

DOS

IR

Vibrations