Geometry & MOs

Info

ID:	418114
PubChem CID:	135103600
Reduced:	OF3N5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-128.06
Dipole, Da:	9.85
IP(EA), eV:	-8.87(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)N3CCC(CC3)C4=NN=C(N4C)CO

DOS

IR

Vibrations