Geometry & MOs

Info

ID:	182792
PubChem CID:	76938359
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-20.24
Dipole, Da:	2.89
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-but-2-enoxyisoquinolin-3-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC=CCOC1=CN=C(N=C1CNC(C)C)C(C)C

DOS

IR

Vibrations