Geometry & MOs

Info

ID:	419669
PubChem CID:	135108684
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	384.179755
ΔH_f, kcal/mol:	41.94
Dipole, Da:	6.31
IP(EA), eV:	-8.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=CC=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations