Geometry & MOs

Info

ID:	256377
PubChem CID:	103138866
Reduced:	FNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	3.47
IP(EA), eV:	-8.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[(5-aminoisoquinolin-8-yl)amino]methyl]cyclopropyl]methanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CNCCOC)C2=CC(=CC=C2)F

DOS

IR

Vibrations