Geometry & MOs

Info

ID:	256835
PubChem CID:	103141736
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	297.103275
ΔH_f, kcal/mol:	28.3
Dipole, Da:	9.52
IP(EA), eV:	-9.05(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3-chloro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine

Drug info:

PubChemData

Smile

CC(CNC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-])CSC

DOS

IR

Vibrations