Geometry & MOs

Info

ID:	182133
PubChem CID:	76852023
Reduced:	F3O3N4H11C14 (1)
Stoich.:	A3B3C4D11E14 (1)
Weight, g/mol:	261.076786
ΔH_f, kcal/mol:	-209.47
Dipole, Da:	1.91
IP(EA), eV:	-10.4(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloropropan-2-yloxy)phenol;methylcarbamic acid

Drug info:

PubChemData

Smile

CN1C(=O)C(=NC(=O)CC2=CC=C(C=C2)C(F)(F)F)C(=NC1=O)N

DOS

IR

Vibrations