Geometry & MOs

Info

ID:	255612
PubChem CID:	103133396
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-7.85
Dipole, Da:	3.6
IP(EA), eV:	-8.99(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminocycloheptyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC(CC(=O)C1=CC=CC2=C1C=NC=C2)C3CCCNC3

DOS

IR

Vibrations