Geometry & MOs

Info

ID:	256258
PubChem CID:	103138033
Reduced:	FN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	28.11
Dipole, Da:	3.22
IP(EA), eV:	-8.06(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-methoxycyclopentyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCN(C1=C2C=NC=CC2=C(C=C1)N)C3=CC=CC=C3F

DOS

IR

Vibrations