Geometry & MOs

Info

ID:	421135
PubChem CID:	135115431
Reduced:	ClNSO3C19H24 (1)
Stoich.:	ABCD3E19F24 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-125.44
Dipole, Da:	3.27
IP(EA), eV:	-8.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=C(C4=CC=CC=C4S3)Cl)O

DOS

IR

Vibrations