Geometry & MOs

Info

ID:	377826
PubChem CID:	134223891
Reduced:	NO7C26H33 (1)
Stoich.:	AB7C26D33 (1)
Weight, g/mol:	455.199762
ΔH_f, kcal/mol:	-256.49
Dipole, Da:	16.18
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(2Z,4Z,6E)-1-amino-6-(4,6-diphenylpyrimidin-2-yl)nona-2,4,6,8-tetraenylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)(COC)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCC4CC(C4)OC

DOS

IR

Vibrations