Geometry & MOs

Info

ID:	187192
PubChem CID:	77542501
Reduced:	BrNO5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-205.32
Dipole, Da:	5.97
IP(EA), eV:	-9.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(2-cyanoazetidin-1-yl)-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)OCCBr)C(=O)O

DOS

IR

Vibrations