Geometry & MOs

Info

ID:	257126
PubChem CID:	103143929
Reduced:	ClNOH10C16 (1)
Stoich.:	ABCD10E16 (1)
Weight, g/mol:	261.115364
ΔH_f, kcal/mol:	38.11
Dipole, Da:	4.76
IP(EA), eV:	-9.57(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-isoquinolin-8-ylphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C3=C(C=C(C=C3)Cl)C=O

DOS

IR

Vibrations