Geometry & MOs

Info

ID:	256518
PubChem CID:	103139689
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	304.017018
ΔH_f, kcal/mol:	-38.13
Dipole, Da:	4.91
IP(EA), eV:	-8.3(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,4-dichlorophenoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CCC(CC1=CC2=C(C=C1)N(C=C2)CC3CCC(O3)C)N

DOS

IR

Vibrations