Geometry & MOs

Info

ID:	154945
PubChem CID:	56314501
Reduced:	FSN4O5C22H25 (1)
Stoich.:	ABC4D5E22F25 (1)
Weight, g/mol:	374.229346
ΔH_f, kcal/mol:	-152.29
Dipole, Da:	2.24
IP(EA), eV:	-9.42(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpiperidin-1-yl)butyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations