Geometry & MOs

Info

ID:	256453
PubChem CID:	103139305
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-83.23
Dipole, Da:	3.85
IP(EA), eV:	-9.47(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-aminoisoquinolin-8-yl)azepan-2-yl]methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations