Geometry & MOs

Info

ID:	177970
PubChem CID:	76259080
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-111.54
Dipole, Da:	7.28
IP(EA), eV:	-9.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)methyl 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCCC1)OC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=N3

DOS

IR

Vibrations