Geometry & MOs

Info

ID:	256064
PubChem CID:	103136792
Reduced:	FN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	379.98442
ΔH_f, kcal/mol:	35.61
Dipole, Da:	1.51
IP(EA), eV:	-7.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-iodothiophen-3-yl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)F)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations