Geometry & MOs

Info

ID:	368597
PubChem CID:	127329606
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	3.4
IP(EA), eV:	-8.6(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C2CCN(C2=O)C

DOS

IR

Vibrations