Geometry & MOs

Info

ID:	131790
PubChem CID:	51261385
Reduced:	ClFOSN3H15C17 (1)
Stoich.:	ABCDE3F15G17 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	-1.8
Dipole, Da:	2.19
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethylchromen-2-one

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC(=O)N3C=CSC3=N2)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations