Geometry & MOs

Info

ID:	256192
PubChem CID:	103137634
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	283.114319
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	1.99
IP(EA), eV:	-8.9(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1(CN(C1)CC2CCC(O2)C)O

DOS

IR

Vibrations