Geometry & MOs

Info

ID:	195612
PubChem CID:	78712319
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	418.081931
ΔH_f, kcal/mol:	-134.42
Dipole, Da:	3.4
IP(EA), eV:	-9.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=C(ON=C3C)C(C)C

DOS

IR

Vibrations