Geometry & MOs

Info

ID:	323647
PubChem CID:	126675650
Reduced:	ON2C6H10 (1)
Stoich.:	AB2C6D10 (1)
Weight, g/mol:	394.28718
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	2.59
IP(EA), eV:	-9.36(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopentyloxymethyl)-4-[4-(7-methyloctan-4-yloxy)phenyl]benzene

Drug info:

PubChemData

Smile

C1C2C(CN1)NCC2=O

DOS

IR

Vibrations