Geometry & MOs

Info

ID:	154942
PubChem CID:	56314498
Reduced:	N2F3O3C22H33 (1)
Stoich.:	A2B3C3D22E33 (1)
Weight, g/mol:	454.199189
ΔH_f, kcal/mol:	-294.06
Dipole, Da:	4.39
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-methylphenyl)methyl]-1-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCCNC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations