Geometry & MOs

Info

ID:	256497
PubChem CID:	103139606
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	298.087291
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	3.44
IP(EA), eV:	-8.62(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-chloro-2,6-dimethylphenoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CC=C2/C(=N/O)/N

DOS

IR

Vibrations