Geometry & MOs

Info

ID:	411598
PubChem CID:	135084430
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	233.066363
ΔH_f, kcal/mol:	-80.99
Dipole, Da:	2.72
IP(EA), eV:	-8.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(trifluoromethyl)phenyl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

COCN1C=CC2=C1C=C(C=C2)C(=O)OC

DOS

IR

Vibrations