Geometry & MOs

Info

ID:	256182
PubChem CID:	103137579
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	-121.39
Dipole, Da:	1.44
IP(EA), eV:	-8.9(2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(1-pyrazol-1-ylpropan-2-yl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCCC2CO

DOS

IR

Vibrations