Geometry & MOs

Info

ID:	52061
PubChem CID:	12014841
Reduced:	NO6H23C33 (1)
Stoich.:	AB6C23D33 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-50.3
Dipole, Da:	4.73
IP(EA), eV:	-9.05(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,4E,6E)-7-(dimethylamino)-2,4-dimethyl-1-(1-methylpyrrol-3-yl)hepta-1,4,6-trien-3-one

Drug info:

PubChemData

Smile

CNC.C1=CC=C2C(=C1)C(=C(C2=O)C=C(C=C3C(=O)C4=CC=CC=C4C3=O)C=C5C(=O)C6=CC=CC=C6C5=O)O

DOS

IR

Vibrations