Geometry & MOs

Info

ID:	226770
PubChem CID:	87558196
Reduced:	N2O5C9H18 (1)
Stoich.:	A2B5C9D18 (1)
Weight, g/mol:	342.149891
ΔH_f, kcal/mol:	-210.58
Dipole, Da:	3.47
IP(EA), eV:	-9.63(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](COC)C(=O)NO

DOS

IR

Vibrations