Geometry & MOs

Info

ID:	199798
PubChem CID:	79297327
Reduced:	ClSN5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	352.00904
ΔH_f, kcal/mol:	94.17
Dipole, Da:	5.73
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-bromophenyl)-5-(2-chloroethyl)-1,3-dimethylimidazo[4,5-c]pyrazole

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN2C(=NC3=C2N(N=C3C)C)CCl

DOS

IR

Vibrations