Geometry & MOs

Info

ID:	85621
PubChem CID:	49877722
Reduced:	NO2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	553.9776
ΔH_f, kcal/mol:	-123.56
Dipole, Da:	1.31
IP(EA), eV:	-8.53(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-2,4-dibromo-6-[[[1-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylimidazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCCCOC1=CC(=O)/C(=C\NN/C=C/2\C(=O)C=C(C=C2)OCCCCCC)/C=C1

DOS

IR

Vibrations