Geometry & MOs

Info

ID:	397601
PubChem CID:	135030452
Reduced:	OSN2H20C29 (1)
Stoich.:	ABC2D20E29 (1)
Weight, g/mol:	275.89723
ΔH_f, kcal/mol:	101.15
Dipole, Da:	3.17
IP(EA), eV:	-8.75(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3,3-dibromoprop-1-enyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=CN=C2C3=CC=CC=C3C4=CC5=C(C=C4)SC6=CC=CC=C6C5=O

DOS

IR

Vibrations