Geometry & MOs

Info

ID:	368472
PubChem CID:	127329042
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	387.238273
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	6.79
IP(EA), eV:	-9.46(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)N(C)C3CCCC3

DOS

IR

Vibrations