Geometry & MOs

Info

ID:	256204
PubChem CID:	103137691
Reduced:	NO2C11H23 (1)
Stoich.:	AB2C11D23 (1)
Weight, g/mol:	283.114319
ΔH_f, kcal/mol:	-120.4
Dipole, Da:	1.58
IP(EA), eV:	-8.96(2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(1-thiophen-2-ylpropyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(C)C(C)(C)CO

DOS

IR

Vibrations