Geometry & MOs

Info

ID:	398877
PubChem CID:	135035966
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	356.198759
ΔH_f, kcal/mol:	11.73
Dipole, Da:	7.07
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,4-bis(methoxymethoxy)-4-phenylcyclohexyl]benzene

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H](C1)C(=C(C3=CC=CC=C23)C#N)O

DOS

IR

Vibrations