Geometry & MOs

Info

ID:	255580
PubChem CID:	103133131
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	15.94
Dipole, Da:	6.52
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminocyclohexyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1CNCC1C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations