Geometry & MOs

Info

ID:	154441
PubChem CID:	56313880
Reduced:	FN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	360.213696
ΔH_f, kcal/mol:	-131.22
Dipole, Da:	4.84
IP(EA), eV:	-8.9(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COCC1C(CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)N4CCOCC4

DOS

IR

Vibrations