Geometry & MOs

Info

ID:	233541
PubChem CID:	91145392
Reduced:	O2N3F4H25C27 (1)
Stoich.:	A2B3C4D25E27 (1)
Weight, g/mol:	240.139326
ΔH_f, kcal/mol:	-196.6
Dipole, Da:	3.17
IP(EA), eV:	-8.76(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(2-ethylhexyl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)(CN(CC(F)(F)F)C(=O)O)C(C1=CC=CC=C1)C2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations