Geometry & MOs

Info

ID:	255719
PubChem CID:	103134242
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	261.115364
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	5.21
IP(EA), eV:	-9.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylphenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC=CC(=C2)C#N

DOS

IR

Vibrations