Geometry & MOs

Info

ID:	256241
PubChem CID:	103137919
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	281.132826
ΔH_f, kcal/mol:	-17.44
Dipole, Da:	6.18
IP(EA), eV:	-9.48(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-ethyl-8-N-(3-fluorophenyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(N=N2)C(C)(C)N

DOS

IR

Vibrations