Geometry & MOs

Info

ID:	149120
PubChem CID:	53788792
Reduced:	ClO4N8C31H41 (1)
Stoich.:	AB4C8D31E41 (1)
Weight, g/mol:	407.223613
ΔH_f, kcal/mol:	-88.08
Dipole, Da:	6.1
IP(EA), eV:	-8.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(4-butylcyclohexyl)ethyl]-2-fluorophenyl]-2-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3CN(C(=NC3=N2)NC(=O)NC(C)(C)C)C4=C(C(=CC(=C4)OC)OC)Cl

DOS

IR

Vibrations