Geometry & MOs

Info

ID:	65350
PubChem CID:	29214760
Reduced:	OS2N10C23H30 (1)
Stoich.:	AB2C10D23E30 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	105.87
Dipole, Da:	4.65
IP(EA), eV:	-8.61(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxopyridazin-1-yl]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

DOS

IR

Vibrations