Geometry & MOs

Info

ID:	378665
PubChem CID:	134224759
Reduced:	N2H52C71 (1)
Stoich.:	A2B52C71 (1)
Weight, g/mol:	217.107834
ΔH_f, kcal/mol:	270.85
Dipole, Da:	2.24
IP(EA), eV:	-8.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pentan-2-yl-2-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=CC=CC=C5C6=C4C=C(C=C6)C(CC7=CC=CC=C7)C8=CC9=C(C=C8)C=C(C=C9)C(=CC1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C

DOS

IR

Vibrations