Geometry & MOs

Info

ID:	318396
PubChem CID:	126651109
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	149.058912
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	3.87
IP(EA), eV:	-9.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2H-pyrrolo[3,2-c]pyridazin-3-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/CC(=C)C(=O)O

DOS

IR

Vibrations