Geometry & MOs

Info

ID:	256402
PubChem CID:	103139024
Reduced:	NOC15H31 (1)
Stoich.:	ABC15D31 (1)
Weight, g/mol:	298.125218
ΔH_f, kcal/mol:	-101.72
Dipole, Da:	2.84
IP(EA), eV:	-8.45(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(C)(CNC(C)C)C(C)C

DOS

IR

Vibrations