Geometry & MOs

Info

ID:	419579
PubChem CID:	135108468
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-78.57
Dipole, Da:	3.87
IP(EA), eV:	-8.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34)OC

DOS

IR

Vibrations