Geometry & MOs

Info

ID:	396465
PubChem CID:	135028483
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	-124.13
Dipole, Da:	1.55
IP(EA), eV:	-8.81(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(R)-(6-formyl-1,3-benzodioxol-5-yl)-pyridin-3-ylmethyl]pent-4-enoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1[C@H](O1)CO)OCC2=CC=C(C=C2)OC

DOS

IR

Vibrations