Geometry & MOs

Info

ID:	422273
PubChem CID:	135117541
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	326.135446
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	5.85
IP(EA), eV:	-8.72(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations