Geometry & MOs

Info

ID:	257063
PubChem CID:	103143491
Reduced:	BrON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	243.026248
ΔH_f, kcal/mol:	28.26
Dipole, Da:	4.8
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2,2-difluoro-1-isoquinolin-8-ylethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=CC(=C3)Br)N)O

DOS

IR

Vibrations