Geometry & MOs

Info

ID:	256035
PubChem CID:	103136554
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	282.11907
ΔH_f, kcal/mol:	-115.79
Dipole, Da:	3.62
IP(EA), eV:	-8.31(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylthiophen-2-yl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)CCN)OC

DOS

IR

Vibrations