Geometry & MOs

Info

ID:	293718
PubChem CID:	117397394
Reduced:	ClNOF2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	257.041898
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	3.71
IP(EA), eV:	-9.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(difluoromethyl)-2-(1-isocyanatocyclobutyl)benzene

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=C(C=CC(=C2Cl)F)F)N=C=O

DOS

IR

Vibrations