Geometry & MOs

Info

ID:	436328
PubChem CID:	135199060
Reduced:	BrClOH10C12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	551.18238
ΔH_f, kcal/mol:	-0.83
Dipole, Da:	1.54
IP(EA), eV:	-9.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[(1E,4Z,6Z)-3,3-dimethyl-1-(2-methylphenyl)octa-1,4,6-trienyl]cyclohexa-2,4-dien-1-yl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)/C=C\C(=C)C(=O)Cl

DOS

IR

Vibrations