Geometry & MOs

Info

ID:	159845
PubChem CID:	57288812
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	226.172151
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	3.36
IP(EA), eV:	-9.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylhexyl)naphthalene

Drug info:

PubChemData

Smile

CC(C)(CNC=O)C1=CC(=C(C=C1)COC)C2=NC=CN2

DOS

IR

Vibrations