Geometry & MOs

Info

ID:	422876
PubChem CID:	135118551
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	95.26
Dipole, Da:	2.66
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations