Geometry & MOs

Info

ID:	255971
PubChem CID:	103135996
Reduced:	FN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	268.10342
ΔH_f, kcal/mol:	19.38
Dipole, Da:	2.7
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-N-methyl-1-(4-methylthiophen-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC=CC3=C2C=NC=C3)NC)F

DOS

IR

Vibrations