Geometry & MOs

Info

ID:	181438
PubChem CID:	76747711
Reduced:	ClN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	504.160926
ΔH_f, kcal/mol:	-50.12
Dipole, Da:	2.79
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,2-dimethyl-1,3-oxazolidin-4-ide-3-carboxylate;4-ethylaniline;tungsten(2+)

Drug info:

PubChemData

Smile

CC1C(N=C(O1)C)CCC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations