Geometry & MOs

Info

ID:	259069
PubChem CID:	103158142
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-43.7
Dipole, Da:	3.8
IP(EA), eV:	-9.21(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-ylmethyl 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)NCC(CC2CCCC2)O

DOS

IR

Vibrations