Geometry & MOs

Info

ID:	407611
PubChem CID:	135080360
Reduced:	BrSN2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	204.162649
ΔH_f, kcal/mol:	78.77
Dipole, Da:	3.52
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-3-methylidenenon-1-enyl]pyrazole

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)CC(=C)Br)SC2=CC=CC=C2

DOS

IR

Vibrations