Geometry & MOs

Info

ID:	396428
PubChem CID:	135028405
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	386.160363
ΔH_f, kcal/mol:	-133.66
Dipole, Da:	5.37
IP(EA), eV:	-8.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)ethyl-(3-ethoxy-3-oxopropanoyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)azanium

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)N1CCC2=CC(=C(C=C2C13C=CC(=O)C=C3)OC)OC

DOS

IR

Vibrations