Geometry & MOs

Info

ID:	420188
PubChem CID:	135111739
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	355.150761
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	5.59
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1CNCCN1C(=O)C2=C(ON=C2NCCOC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations