Geometry & MOs

Info

ID:	145955
PubChem CID:	53618253
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	343.056152
ΔH_f, kcal/mol:	29.71
Dipole, Da:	5.49
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CCCN2CCC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations