Geometry & MOs

Info

ID:	256437
PubChem CID:	103139226
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	3.54
IP(EA), eV:	-9.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-ethylsulfinylethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=CC2=C1C=NC=C2)O

DOS

IR

Vibrations