Geometry & MOs

Info

ID:	445257
PubChem CID:	135265604
Reduced:	ClOF3N5C21H29 (1)
Stoich.:	ABC3D5E21F29 (1)
Weight, g/mol:	311.160932
ΔH_f, kcal/mol:	-145.71
Dipole, Da:	2.19
IP(EA), eV:	-9.21(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptan-3-yl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine

Drug info:

PubChemData

Smile

CCN(CCNC(C/C=C(/CCC=C)\Cl)O)C1CC=C(C=N1)C2=NC=C(N2)C(F)(F)F

DOS

IR

Vibrations