Geometry & MOs

Info

ID:	415121
PubChem CID:	135088107
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	341.135111
ΔH_f, kcal/mol:	-118.39
Dipole, Da:	2.63
IP(EA), eV:	-8.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC)N

DOS

IR

Vibrations