Geometry & MOs

Info

ID:	294514
PubChem CID:	117465775
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-77.41
Dipole, Da:	4.58
IP(EA), eV:	-9.4(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(1-isocyanatocyclobutyl)phenyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=C(C=C2)N3C=CC=N3)F)C(=O)O

DOS

IR

Vibrations