Geometry & MOs

Info

ID:	205770
PubChem CID:	80155042
Reduced:	FNOSC17H22 (1)
Stoich.:	ABCDE17F22 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	1.46
IP(EA), eV:	-8.73(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(4-ethylcyclohexyl)amino]methyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)[C@H](C)O)N(C)C(C)CC2=CC=CS2

DOS

IR

Vibrations