Geometry & MOs

Info

ID:	370877
PubChem CID:	127341194
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	-107.67
Dipole, Da:	4.55
IP(EA), eV:	-9.22(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(2-ethyl-3-oxopiperazin-1-yl)acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)N2CCCCCC2

DOS

IR

Vibrations