Geometry & MOs

Info

ID:	148295
PubChem CID:	53787957
Reduced:	N2O5H18C20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	393.266779
ΔH_f, kcal/mol:	-0.25
Dipole, Da:	6.33
IP(EA), eV:	-8.47(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

decyl 2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CNC(=O)C1OC2=C(O1)C=C3C4CC5=CC6=C(C=C5C(N4)CC3=C2)OCO6

DOS

IR

Vibrations