Geometry & MOs

Info

ID:	346153
PubChem CID:	127270641
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	40.33
Dipole, Da:	4.25
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)N3CCN(CC3C4=CC=CC=C4)C

DOS

IR

Vibrations