Geometry & MOs

Info

ID:	236294
PubChem CID:	92712270
Reduced:	SN2O3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	432.150764
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	3.83
IP(EA), eV:	-8.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-(6-methylthieno[2,3-b]quinolin-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C2=CC(=C(C=C2CCN1C(=O)C3=CC4=C(S3)N=C5C=CC(=CC5=C4)C)OC)OC

DOS

IR

Vibrations