Geometry & MOs

Info

ID:	362559
PubChem CID:	127308220
Reduced:	F2O4N5C17H19 (1)
Stoich.:	A2B4C5D17E19 (1)
Weight, g/mol:	394.145261
ΔH_f, kcal/mol:	-178.14
Dipole, Da:	7.52
IP(EA), eV:	-9.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations