Geometry & MOs

Info

ID:	259064
PubChem CID:	103158127
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	229.077265
ΔH_f, kcal/mol:	-96.4
Dipole, Da:	1.77
IP(EA), eV:	-8.98(2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thiophen-2-ylmethyl 4-amino-3-methoxybutanoate

Drug info:

PubChemData

Smile

C[C@H](C1CCCC1)NCC(CC2CCCC2)O

DOS

IR

Vibrations