Geometry & MOs

Info

ID:	443484
PubChem CID:	135259171
Reduced:	O2F5N5C24H24 (1)
Stoich.:	A2B5C5D24E24 (1)
Weight, g/mol:	337.124941
ΔH_f, kcal/mol:	-268.05
Dipole, Da:	1.55
IP(EA), eV:	-8.81(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-nitro-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=CN=C2NC3=CC(=C(N(C3=O)C4(CCC(CC4)C(C(F)(F)F)(F)F)N)C=O)C

DOS

IR

Vibrations