Geometry & MOs

Info

ID:	199377
PubChem CID:	79238613
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	1.55
IP(EA), eV:	-8.51(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC2=C(C=C(C=C2)C(=O)OC)N

DOS

IR

Vibrations