Geometry & MOs

Info

ID:	176519
PubChem CID:	76061790
Reduced:	S2N6O9C36H36 (1)
Stoich.:	A2B6C9D36E36 (1)
Weight, g/mol:	386.293328
ΔH_f, kcal/mol:	-224.28
Dipole, Da:	6.59
IP(EA), eV:	-8.44(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexyl-6-[4-[3-(2-methylbutoxy)propoxy]phenyl]-4H-pyridazine

Drug info:

PubChemData

Smile

CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)OC(=O)C4=C(CSC5N4C(=O)C5NC(=O)C(C6=CC=C(C=C6)O)N)C=CC)N)SC1)C(=O)O

DOS

IR

Vibrations