Geometry & MOs

Info

ID:	399865
PubChem CID:	135043321
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	250.139137
ΔH_f, kcal/mol:	16.94
Dipole, Da:	2.91
IP(EA), eV:	-8.15(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S)-2-ethoxycyclohexyl]sulfanyl-4-methylbenzene

Drug info:

PubChemData

Smile

C1C[C@@H]2C(C1)CN3CCNCC4=C3C2=CC=C4

DOS

IR

Vibrations