Geometry & MOs

Info

ID:	186679
PubChem CID:	77466387
Reduced:	NSO8C38H39 (1)
Stoich.:	ABC8D38E39 (1)
Weight, g/mol:	451.308644
ΔH_f, kcal/mol:	-179.44
Dipole, Da:	3.91
IP(EA), eV:	-8.35(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCCCCCCOC3=C(C=C(C=C3)C4=NC5=CC=CC=C5S4)O

DOS

IR

Vibrations