Geometry & MOs

Info

ID:	179731
PubChem CID:	76522320
Reduced:	ClN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	224.128668
ΔH_f, kcal/mol:	-135.08
Dipole, Da:	4.55
IP(EA), eV:	-9.74(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-tert-butyl-N-[3-(2-methylideneoxetan-3-yl)prop-2-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)N(C1CCN(C1=O)CC2=CC=CC=C2Cl)C(=O)O

DOS

IR

Vibrations