Geometry & MOs

Info

ID:	256154
PubChem CID:	103137417
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	254.08777
ΔH_f, kcal/mol:	65.51
Dipole, Da:	2.47
IP(EA), eV:	-7.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-(5-methylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations