Geometry & MOs

Info

ID:	442278
PubChem CID:	135250956
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	331.211156
ΔH_f, kcal/mol:	-159.42
Dipole, Da:	2.0
IP(EA), eV:	-8.68(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-ethyl-2-methylheptan-3-yl)-4,6-difluorophenyl]pyridine

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OC(C23CC4CC(C2)CC(C4)(C3)O)OC

DOS

IR

Vibrations