Geometry & MOs

Info

ID:	422614
PubChem CID:	135118142
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	327.119461
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	5.08
IP(EA), eV:	-9.84(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations