Geometry & MOs

Info

ID:	422300
PubChem CID:	135117585
Reduced:	FN2O3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	305.137556
ΔH_f, kcal/mol:	-113.77
Dipole, Da:	7.83
IP(EA), eV:	-9.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)F)C(=O)N3CCC4(CC3)C5=C(CCO4)C=CC=C5OC

DOS

IR

Vibrations