Geometry & MOs

Info

ID:	256502
PubChem CID:	103139616
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	304.017018
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	4.55
IP(EA), eV:	-9.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,5-dichlorophenoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1CC(NC(C1)C(=O)O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations