Geometry & MOs

Info

ID:	335743
PubChem CID:	127254605
Reduced:	O2N6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	410.206639
ΔH_f, kcal/mol:	82.9
Dipole, Da:	1.49
IP(EA), eV:	-8.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=CC=NC3=NC(=NN23)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations