Geometry & MOs

Info

ID:	202134
PubChem CID:	79633933
Reduced:	ON4C16H30 (1)
Stoich.:	AB4C16D30 (1)
Weight, g/mol:	285.17625
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	3.61
IP(EA), eV:	-9.02(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyclopentylsulfanyl-1-(ethylamino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCNC1(CCCC(C1)N(C)CC2=NC=CN2C)CO

DOS

IR

Vibrations