Geometry & MOs

Info

ID:	256207
PubChem CID:	103137724
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	298.125218
ΔH_f, kcal/mol:	-106.03
Dipole, Da:	2.21
IP(EA), eV:	-8.82(2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl-(4-methylthiadiazol-5-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(CCCO)C2CCC2

DOS

IR

Vibrations