Geometry & MOs

Info

ID:	208292
PubChem CID:	80515188
Reduced:	SN2O5C13H22 (1)
Stoich.:	AB2C5D13E22 (1)
Weight, g/mol:	301.161269
ΔH_f, kcal/mol:	-241.67
Dipole, Da:	10.7
IP(EA), eV:	-10.31(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5,6-diethyl-3-[(2-methylphenyl)methylsulfanyl]pyridazin-4-yl]methanamine

Drug info:

PubChemData

Smile

C1CCC(C1)CNC(=O)N2CCS(=O)(=O)CC2CC(=O)O

DOS

IR

Vibrations