Geometry & MOs

Info

ID:	283191
PubChem CID:	103963085
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	269.113982
ΔH_f, kcal/mol:	1.08
Dipole, Da:	4.93
IP(EA), eV:	-8.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-4-N-(2,2,2-trifluoroethyl)quinoline-3,4-diamine

Drug info:

PubChemData

Smile

CCOC1CCCN(C1)C2=C(C=NC3=CC=CC=C32)N

DOS

IR

Vibrations