Geometry & MOs

Info

ID:	145985
PubChem CID:	53621126
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	23.81
Dipole, Da:	3.96
IP(EA), eV:	-8.64(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(cyclopropylamino)pyridin-3-yl]-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNCC2=CC3=C(C=CC(=C3)Cl)OC2

DOS

IR

Vibrations