Geometry & MOs

Info

ID:	39100
PubChem CID:	8139697
Reduced:	Cl2N2O4H12C17 (1)
Stoich.:	A2B2C4D12E17 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	5.26
IP(EA), eV:	-9.25(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Cl)Cl

DOS

IR

Vibrations