Geometry & MOs

Info

ID:	819
PubChem CID:	3397
Reduced:	N2F3O3C11H11 (1)
Stoich.:	A2B3C3D11E11 (1)
Weight, g/mol:	276.072177
ΔH_f, kcal/mol:	-199.34
Dipole, Da:	10.92
IP(EA), eV:	-9.98(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations