Geometry & MOs

Info

ID:	342421
PubChem CID:	127265246
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-151.53
Dipole, Da:	0.97
IP(EA), eV:	-9.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-methylbut-2-enoylamino)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1C(CCCN1CC=CC2=CC=C(C=C2)F)O

DOS

IR

Vibrations