Geometry & MOs

Info

ID:	259071
PubChem CID:	103158145
Reduced:	NO4C9H17 (1)
Stoich.:	AB4C9D17 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-181.36
Dipole, Da:	1.87
IP(EA), eV:	-9.66(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylcyclohexyl) 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

COC(CC(=O)OC1CCOC1)CN

DOS

IR

Vibrations