Geometry & MOs

Info

ID:	147054
PubChem CID:	53786555
Reduced:	ON2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	482.354866
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	2.46
IP(EA), eV:	-10.08(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-4-[4-[4-[4-(4-pentylcyclohexyl)phenyl]but-1-en-3-ynyl]cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCC(C)(CC)NC(=O)C[N+]#[C-]

DOS

IR

Vibrations