Geometry & MOs

Info

ID:	55482
PubChem CID:	17395445
Reduced:	ClFN2O2C17H24 (1)
Stoich.:	ABC2D2E17F24 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	-149.87
Dipole, Da:	0.42
IP(EA), eV:	-8.92(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NC(=O)COC2=C(C=C(C=C2)F)Cl)C

DOS

IR

Vibrations