Geometry & MOs

Info

ID:	79274
PubChem CID:	49747777
Reduced:	Cl2N2O3C20H22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-92.83
Dipole, Da:	2.55
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(CNC(=O)C2=CC(=CC(=C2)Cl)Cl)N3CCOCC3

DOS

IR

Vibrations