Geometry & MOs

Info

ID:	422939
PubChem CID:	135118655
Reduced:	ON2S2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	25.48
Dipole, Da:	3.0
IP(EA), eV:	-8.47(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NC4=CC=CC=C4S3)C5=C1SC=C5

DOS

IR

Vibrations