Geometry & MOs

Info

ID:	416367
PubChem CID:	135089380
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-80.79
Dipole, Da:	4.06
IP(EA), eV:	-8.98(0.6)
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-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations