Geometry & MOs

Info

ID:	364583
PubChem CID:	127315835
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	10.16
IP(EA), eV:	-9.21(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCCN1CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations