Geometry & MOs

Info

ID:	415075
PubChem CID:	135088061
Reduced:	FNSO3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-136.71
Dipole, Da:	5.41
IP(EA), eV:	-9.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CC3=CC(=C(C=C3)O)F)C4=C1C=CS4

DOS

IR

Vibrations