Geometry & MOs

Info

ID:	432995
PubChem CID:	135173132
Reduced:	SO4N6C12H14 (1)
Stoich.:	AB4C6D12E14 (1)
Weight, g/mol:	325.04661
ΔH_f, kcal/mol:	-86.27
Dipole, Da:	7.7
IP(EA), eV:	-9.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazole

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(C=N1)NC(=O)CSC2=NC(C=C(N2)N)O

DOS

IR

Vibrations