Geometry & MOs

Info

ID:	434925
PubChem CID:	135176020
Reduced:	ClOPF2N2C12H14 (1)
Stoich.:	ABCD2E2F12G14 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	4.83
IP(EA), eV:	-9.2(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(5-azatricyclo[5.1.0.01,3]octan-2-yl)carbamate

Drug info:

PubChemData

Smile

COC[C@@H](NC(C#N)C(C1=CC=C(C=C1)Cl)(F)F)P

DOS

IR

Vibrations