Geometry & MOs

Info

ID:	157170
PubChem CID:	56422218
Reduced:	N3O4H21C24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	417.130026
ΔH_f, kcal/mol:	-37.3
Dipole, Da:	3.51
IP(EA), eV:	-8.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NN(C=C2C(=O)NCC3=C4C(=CC=C3)OCCO4)C5=CC=CC=C5

DOS

IR

Vibrations