Geometry & MOs

Info

ID:	235674
PubChem CID:	92710383
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	147.043262
ΔH_f, kcal/mol:	-102.88
Dipole, Da:	7.89
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-pyrrolo[2,3-d]pyridazine-4-carbaldehyde

Drug info:

PubChemData

Smile

C1CCN2[C@H](C1)C(=O)NC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations