Geometry & MOs

Info

ID:	259086
PubChem CID:	103158176
Reduced:	NOF5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-263.33
Dipole, Da:	5.85
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=C(C(=C(C(=C2F)F)F)F)F)O

DOS

IR

Vibrations