Geometry & MOs

Info

ID:	153668
PubChem CID:	56312958
Reduced:	FN4O4H25C27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	401.136254
ΔH_f, kcal/mol:	-114.85
Dipole, Da:	8.55
IP(EA), eV:	-8.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)C2=CC=CC=C2NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations