Geometry & MOs

Info

ID:	125988
PubChem CID:	50947101
Reduced:	FON7C16H16 (1)
Stoich.:	ABC7D16E16 (1)
Weight, g/mol:	452.199445
ΔH_f, kcal/mol:	37.1
Dipole, Da:	3.39
IP(EA), eV:	-9.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=NN=C(C=C2)NCCNC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations