Geometry & MOs

Info

ID:	426653
PubChem CID:	135153143
Reduced:	FON4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	355.102
ΔH_f, kcal/mol:	29.46
Dipole, Da:	1.79
IP(EA), eV:	-9.28(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4,4-difluoro-3,3-dimethylisoquinolin-1-yl)-8-hydroxychromen-2-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=NC1(C)C)C3=NC4=C(C(=C(C=C4)F)OC)N=N3)C

DOS

IR

Vibrations