Geometry & MOs

Info

ID:	421541
PubChem CID:	135116183
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	1.91
IP(EA), eV:	-8.7(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NCC(CC3=CC=CO3)CO

DOS

IR

Vibrations