Geometry & MOs

Info

ID:	120791
PubChem CID:	50744663
Reduced:	FOSN4C24H27 (1)
Stoich.:	ABCD4E24F27 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	3.74
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(3,4-dimethylphenyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3(CCN(CC3)C)N=C2C4=CC=C(C=C4)F

DOS

IR

Vibrations