Geometry & MOs

Info

ID:	401432
PubChem CID:	135051251
Reduced:	BrNH8C9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	289.974122
ΔH_f, kcal/mol:	32.65
Dipole, Da:	1.19
IP(EA), eV:	-8.93(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylphenyl)-1lambda4,2-dithiacyclopenta-3,5-dien-1-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=CN2Br

DOS

IR

Vibrations