Geometry & MOs

Info

ID:	256125
PubChem CID:	103137237
Reduced:	SN2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	75.95
Dipole, Da:	3.92
IP(EA), eV:	-8.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylpyridin-3-yl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCC(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations