Geometry & MOs

Info

ID:	205805
PubChem CID:	80159577
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-60.77
Dipole, Da:	5.21
IP(EA), eV:	-8.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[cyclohexyl(methyl)amino]methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(C=C1)CNCCCSC

DOS

IR

Vibrations