Geometry & MOs

Info

ID:	181465
PubChem CID:	76747738
Reduced:	BrNWO3C18H24 (1)
Stoich.:	ABCD3E18F24 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	238.15
Dipole, Da:	11.06
IP(EA), eV:	-4.61(-2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[1-(4-acetamidophenyl)cyclopropyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(N([CH-]CO1)C(=O)OC(C)(C)C)C.[CH-]=CC1=CC=C(C=C1)Br.[W+2]

DOS

IR

Vibrations