Geometry & MOs

Info

ID:	244997
PubChem CID:	99432031
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	355.114376
ΔH_f, kcal/mol:	-35.58
Dipole, Da:	2.56
IP(EA), eV:	-9.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)C3=CC=CN3CC4=CC=CS4

DOS

IR

Vibrations