Geometry & MOs

Info

ID:	249806
PubChem CID:	103092243
Reduced:	ClN2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	212.131349
ΔH_f, kcal/mol:	47.92
Dipole, Da:	1.73
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-isoquinolin-4-yl-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=C2C(=C(C=C1)Cl)C=CC=N2)NC

DOS

IR

Vibrations