Geometry & MOs

Info

ID:	398174
PubChem CID:	135032146
Reduced:	OBr2N2H14C19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	364.02113
ΔH_f, kcal/mol:	92.22
Dipole, Da:	5.63
IP(EA), eV:	-9.18(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(4-methoxyphenyl)-8aH-azulene-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=CC=CC(C(C3C2(C#N)C#N)Br)Br

DOS

IR

Vibrations