Geometry & MOs

Info

ID:	257092
PubChem CID:	103143719
Reduced:	SN3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	106.84
Dipole, Da:	3.99
IP(EA), eV:	-9.14(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(4-methoxy-3-methylphenyl)methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CC4=C(C=CS4)N=C3)N

DOS

IR

Vibrations