Geometry & MOs

Info

ID:	256789
PubChem CID:	103141383
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	17.7
Dipole, Da:	9.73
IP(EA), eV:	-9.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[isoquinolin-8-yl-(2-methylthiolan-2-yl)methyl]hydrazine

Drug info:

PubChemData

Smile

C1CCC(C1)CCNC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations