Geometry & MOs

Info

ID:	128438
PubChem CID:	51044394
Reduced:	SN6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	321.06689
ΔH_f, kcal/mol:	102.0
Dipole, Da:	4.75
IP(EA), eV:	-9.44(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)CC1=NN(C(=C1)C2=NN3C(=NN=C3S2)C(C)C)C

DOS

IR

Vibrations