Geometry & MOs

Info

ID:	243946
PubChem CID:	99302953
Reduced:	N3O4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	464.122688
ΔH_f, kcal/mol:	-179.69
Dipole, Da:	5.62
IP(EA), eV:	-8.47(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[[(3R)-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN(CCC(=O)OCC)C(=O)CCCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations