Geometry & MOs

Info

ID:	50763
PubChem CID:	12013351
Reduced:	SBr2N2H4C7 (1)
Stoich.:	AB2C2D4E7 (1)
Weight, g/mol:	302.13068
ΔH_f, kcal/mol:	47.08
Dipole, Da:	3.01
IP(EA), eV:	-8.74(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5Z)-5-[hydroxy-(4-methylphenyl)methylidene]cyclopenta-1,3-dien-1-yl]-(4-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1NC(=S)N2)Br)Br

DOS

IR

Vibrations