Geometry & MOs

Info

ID:	336149
PubChem CID:	127255156
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	424.222289
ΔH_f, kcal/mol:	47.12
Dipole, Da:	9.52
IP(EA), eV:	-8.28(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3CCC(CC3)CN4C=NN=N4

DOS

IR

Vibrations