Geometry & MOs

Info

ID:	226929
PubChem CID:	87559020
Reduced:	NC5H5O5 (1)
Stoich.:	AB5C5D5 (1)
Weight, g/mol:	342.149891
ΔH_f, kcal/mol:	-206.55
Dipole, Da:	2.12
IP(EA), eV:	-11.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-1-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1C(=O)OC(=O)N1C(=O)O

DOS

IR

Vibrations