Geometry & MOs

Info

ID:	361320
PubChem CID:	127302515
Reduced:	F3N3O3C14H16 (1)
Stoich.:	A3B3C3D14E16 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-192.52
Dipole, Da:	5.25
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=CC(=CNC3=O)C(F)(F)F)O

DOS

IR

Vibrations