Geometry & MOs

Info

ID:	353668
PubChem CID:	127285245
Reduced:	ON2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	346.175339
ΔH_f, kcal/mol:	-63.39
Dipole, Da:	4.33
IP(EA), eV:	-8.97(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC2CCCC2

DOS

IR

Vibrations