Geometry & MOs

Info

ID:	272565
PubChem CID:	103747419
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	388.00726
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	3.26
IP(EA), eV:	-9.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-isoquinolin-8-yl-3-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC(=N1)C)C(=O)C2=C(C=C(C=C2)O)O

DOS

IR

Vibrations