Geometry & MOs

Info

ID:	343910
PubChem CID:	127267086
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	5.15
IP(EA), eV:	-8.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-2-[(3-methoxy-4-methylphenyl)methyl]-3-oxopyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)SC2=CC=CC(=C2)O

DOS

IR

Vibrations