Geometry & MOs

Info

ID:	256280
PubChem CID:	103138187
Reduced:	NOC15H31 (1)
Stoich.:	ABC15D31 (1)
Weight, g/mol:	274.121846
ΔH_f, kcal/mol:	-103.85
Dipole, Da:	2.75
IP(EA), eV:	-8.76(2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-aminoisoquinolin-8-yl)-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC(C)C)CNC(C)C

DOS

IR

Vibrations