Geometry & MOs

Info

ID:	255473
PubChem CID:	103132332
Reduced:	ClNH12C13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	212.131349
ΔH_f, kcal/mol:	43.02
Dipole, Da:	3.36
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-isoquinolin-8-yl-N-methylbut-3-en-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)/C=C/CCCl

DOS

IR

Vibrations