Geometry & MOs

Info

ID:	416330
PubChem CID:	135089343
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	4.46
IP(EA), eV:	-8.72(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C1=NC=NC(=C1)NCCC(=O)NC2CCCCC2

DOS

IR

Vibrations