Geometry & MOs

Info

ID:	361300
PubChem CID:	127302495
Reduced:	OSN6C13H24 (1)
Stoich.:	ABC6D13E24 (1)
Weight, g/mol:	394.145261
ΔH_f, kcal/mol:	-9.85
Dipole, Da:	9.51
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(S1)NC(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations