Geometry & MOs

Info

ID:	252739
PubChem CID:	103113676
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	292.067091
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	4.46
IP(EA), eV:	-9.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl N-[(2-methyl-3-nitrophenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C(C)OC

DOS

IR

Vibrations