Geometry & MOs

Info

ID:	449998
PubChem CID:	135303031
Reduced:	O4N5C17H21 (1)
Stoich.:	A4B5C17D21 (1)
Weight, g/mol:	323.153286
ΔH_f, kcal/mol:	-104.4
Dipole, Da:	3.68
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-fluorobenzoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC2(C1C(=O)NC(CO)C(=O)O)CC2)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations