Geometry & MOs

Info

ID:	27215
PubChem CID:	819741
Reduced:	FNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	344.967089
ΔH_f, kcal/mol:	-79.05
Dipole, Da:	3.49
IP(EA), eV:	-9.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-chloro-2,2-bis(chloromethyl)propyl] N-(3-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations