Geometry & MOs

Info

ID:	256424
PubChem CID:	103139176
Reduced:	BrNOH14C17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	225.115364
ΔH_f, kcal/mol:	22.98
Dipole, Da:	5.2
IP(EA), eV:	-9.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-ylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=CC3=C2C=NC=C3)O)Br

DOS

IR

Vibrations