Geometry & MOs

Info

ID:	256983
PubChem CID:	103142888
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	8.07
Dipole, Da:	7.59
IP(EA), eV:	-9.63(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-4-methylcycloheptan-1-ol

Drug info:

PubChemData

Smile

C1C(CC1OC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations