Geometry & MOs

Info

ID:	305712
PubChem CID:	124966219
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	516.307596
ΔH_f, kcal/mol:	22.66
Dipole, Da:	3.9
IP(EA), eV:	-8.77(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S,5R)-4-(1-tert-butylpyrazol-3-yl)-5-[3-(trifluoromethyl)phenyl]-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2=C(NN=C2)[C@H]3CCCN3

DOS

IR

Vibrations