Geometry & MOs

Info

ID:	255557
PubChem CID:	103132957
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	27.39
Dipole, Da:	5.27
IP(EA), eV:	-8.39(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-1-isoquinolin-8-ylheptan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2=NN(C=C2)C)N

DOS

IR

Vibrations