Geometry & MOs

Info

ID:	370883
PubChem CID:	127341207
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-32.57
Dipole, Da:	7.19
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)N2CCC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations