Geometry & MOs

Info

ID:	21101
PubChem CID:	587197
Reduced:	ClOSN3H8C15 (1)
Stoich.:	ABCD3E8F15 (1)
Weight, g/mol:	313.007661
ΔH_f, kcal/mol:	124.14
Dipole, Da:	2.86
IP(EA), eV:	-9.13(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-7-thiophen-2-yl-[1,2]oxazolo[3,4-d]pyridazine

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NN=C(C3=CON=C32)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations