Geometry & MOs

Info

ID:	154092
PubChem CID:	56313480
Reduced:	F3N3O6C22H26 (1)
Stoich.:	A3B3C6D22E26 (1)
Weight, g/mol:	386.172974
ΔH_f, kcal/mol:	-386.85
Dipole, Da:	5.24
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCN(CC2)C(=O)CN3C(=O)CCC3=O)OCC(F)(F)F

DOS

IR

Vibrations