Geometry & MOs

Info

ID:	423752
PubChem CID:	135120157
Reduced:	FN5O6C37H44 (1)
Stoich.:	AB5C6D37E44 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-259.96
Dipole, Da:	6.4
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(2-methylazetidin-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)F)O

DOS

IR

Vibrations