Geometry & MOs

Info

ID:	68224
PubChem CID:	46507997
Reduced:	ClN2O5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	442.162803
ΔH_f, kcal/mol:	-166.06
Dipole, Da:	4.76
IP(EA), eV:	-9.24(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

DOS

IR

Vibrations