Geometry & MOs

Info

ID:	421902
PubChem CID:	135116811
Reduced:	FN3O4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	394.125275
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	4.47
IP(EA), eV:	-9.16(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(CCN1C)C2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations