Geometry & MOs

Info

ID:	256200
PubChem CID:	103137662
Reduced:	NO2C15H27 (1)
Stoich.:	AB2C15D27 (1)
Weight, g/mol:	297.129969
ΔH_f, kcal/mol:	-131.77
Dipole, Da:	2.11
IP(EA), eV:	-8.63(2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCC3(CCCCC3C2)O

DOS

IR

Vibrations