Geometry & MOs

Info

ID:	39362
PubChem CID:	8140488
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	339.207253
ΔH_f, kcal/mol:	-111.62
Dipole, Da:	3.9
IP(EA), eV:	-9.07(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC

DOS

IR

Vibrations