Geometry & MOs

Info

ID:	342954
PubChem CID:	127266117
Reduced:	N3O3F4H13C14 (1)
Stoich.:	A3B3C4D13E14 (1)
Weight, g/mol:	325.200156
ΔH_f, kcal/mol:	-248.24
Dipole, Da:	8.7
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-cyano-1-(1,4-oxazepan-4-yl)-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OCC(C(F)F)(F)F)C(=O)NC2=CC=NN2

DOS

IR

Vibrations