Geometry & MOs

Info

ID:	270699
PubChem CID:	103637731
Reduced:	INOSC13H18 (1)
Stoich.:	ABCDE13F18 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	5.38
IP(EA), eV:	-8.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCCC(C)SC)I

DOS

IR

Vibrations