Geometry & MOs

Info

ID:	47996
PubChem CID:	10536240
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-42.09
Dipole, Da:	1.99
IP(EA), eV:	-8.88(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(S)-hydroxy(pyridin-2-yl)methyl]but-3-enoate

Drug info:

PubChemData

Smile

CN1CCC(CC1)(CC2=CC=CC=C2)O

DOS

IR

Vibrations