Geometry & MOs

Info

ID:	256188
PubChem CID:	103137623
Reduced:	N2O2C13H26 (1)
Stoich.:	A2B2C13D26 (1)
Weight, g/mol:	287.062553
ΔH_f, kcal/mol:	-105.85
Dipole, Da:	2.87
IP(EA), eV:	-8.86(2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(4-chloro-2-fluorophenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCN(CC2)CCO

DOS

IR

Vibrations