Geometry & MOs

Info

ID:	255698
PubChem CID:	103134058
Reduced:	ON3H13C15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	281.060742
ΔH_f, kcal/mol:	49.21
Dipole, Da:	4.75
IP(EA), eV:	-9.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations